SCHEMBL87791

SCHEMBL87791

O=C(c1ccccn1)c1ccccn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.75
CES2 O00748 1/20 0.73
CES1 P23141 1/20 0.73
L3MBTL1 Q9Y468 3/20 0.70
LMNA P02545 3/20 0.70
NAPRT Q6XQN6 1/20 0.70
P4HTM Q9NXG6 1/20 0.70
ALDH1A1 P00352 2/20 0.67
KDM4E B2RXH2 4/20 0.66
GSK3B P49841 1/20 0.59
HSD17B14 Q9BPX1 1/20 0.55
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31369148 1.00 KMT2A (0.75) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL31369119 0.97 KMT2A (0.72) KMT2ACES2CES1L3MBTL1LMNA
Charcoal, Activated SCHEMBL8358164 0.97 KMT2A (0.72) KMT2ACES2CES1L3MBTL1LMNA
Hydrochloric Acid SCHEMBL27723543 0.97 KMT2A (0.72) KMT2ACES2CES1L3MBTL1LMNA
Water SCHEMBL6228901 0.97 KMT2A (0.72) KMT2ACES2CES1L3MBTL1LMNA
Acetic Acid SCHEMBL28040553 0.91 KMT2A (0.70) KMT2ACES2CES1L3MBTL1LMNA
SCHEMBL6115219 0.91 KDM4E (0.68) KMT2ACES2CES1L3MBTL1LMNA
Pyridine SCHEMBL28019201 0.91 KMT2A (0.70) KMT2ACES2CES1L3MBTL1LMNA
Phenol SCHEMBL17644331 0.89 KMT2A (0.68) KMT2ACES2CES1L3MBTL1LMNA
Alcohol SCHEMBL9405122 0.89 KMT2A (0.62) KMT2ACES2CES1L3MBTL1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2583 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4694914-A1 INHIBITION OF: STROMA/CANCER CELL CROSS-TALK &/OR STROMA GENERATED RESISTANCE TO TREATMENT STERLING IP PTE LTD (SG) 2026-02-18 EP claimed
US-12410204-B2 Chiral synthesis of a tertiary alcohol RECURIUM IP HOLDINGS, LLC (US) 2025-09-09 US claimed
EP-4580791-A1 ACID-BASE POLYMER BLEND MEMBRANES FOR SELECTIVE SEPARATION OF GAS MANN+HUMMEL LIFE SCIENCES & ENVIRONMENT HOLDING SINGAPORE PTE. LTD. (SG) 2025-07-09 EP claimed
CN-118440080-B Triphenylamine cationic compound and preparation method and application thereof 广东省科学院微生物研究所(广东省微生物分析检测中心) 2024-12-20 CN claimed
WO-2024213640-A1 INHIBITION OF: STROMA/CANCER CELL CROSS-TALK &/OR STROMA GENERATED RESISTANCE TO TREATMENT STERLING IP PTE. LTD. (SG) 2024-10-17 WO claimed
CN-118440080-A Triphenylamine cationic compound and preparation method and application thereof 广东省科学院微生物研究所(广东省微生物分析检测中心) 2024-08-06 CN claimed
EP-3405453-B1 A METHOD FOR PREPARING POLY(CARBONATE-ETH ERIMIDE) COMPOUND PTT GLOBAL CHEMICAL PUBLIC CO LTD (TH) 2024-05-29 EP claimed
CN-118084907-A Functionalized cyclic structure cyanine dye and preparation method and application thereof 三峡大学 2024-05-28 CN claimed
CN-117702141-A Method for promoting electrocatalytic glycol to prepare glycollic acid by organic ligand adsorption effect 衢州资源化工创新研究院 2024-03-15 CN claimed
WO-2024047477-A1 ACID-BASE POLYMER BLEND MEMBRANES FOR SELECTIVE SEPARATION OF GAS MANN+HUMMEL LIFE SCIENCES & ENVIRONMENT HOLDING SINGAPORE PTE. LTD. (SG) 2024-03-07 WO claimed
EP-0214566-A2 3-Propenyl pyridines and their use as fungicides BASF Aktiengesellschaft (DE) 1987-03-18 EP claimed
EP-0193813-A1 Pyridine derivatives and fungicides containing them BASF Aktiengesellschaft (DE) 1986-09-10 EP claimed
EP-0177695-A1 Modified rubber compositions containing aromatic six-membered heterocyclic nitrogen-containing groups THE FIRESTONE TIRE & RUBBER COMPANY (US) 1986-04-16 EP claimed
US-4567173-A ANIMAL GROWTH REGULATORS INTERNATIONAL MINERALS & CHEMICAL CORP. (US) 1986-01-28 US claimed
US-4479958-A Methods and compositions for inhibiting herpes virus using pyridinyl ketones THE DOW CHEMICAL COMPANY (US) 1984-10-30 US claimed
US-4150208-A CATALYST COMPLEX OF CHROMIUM CARBOXYLATE AND ORGANONITROGEN COMPOUND CHEMPLEX COMPANY (US) 1979-04-17 US claimed
US-4096093-A REACTION PRODUCT OF A CHROMIUM CARBOXYLATE WITH AN ORGANIC NITROGEN COMPOUND CHEMPLEX COMPANY (US) 1978-06-20 US claimed
US-4006092-A PEROXY COMPOUND, ALDEHYDE OR KETONE, VINYL POLYMER, BUFFER THE PROCTER & GAMBLE COMPANY (US) 1977-02-01 US claimed
US-4005029-A Laundering adjunct THE PROCTER & GAMBLE COMPANY (US) 1977-01-25 US claimed
US-3979400-A OXIDATION OF A PYRIDINE REILLY TAR & CHEMICAL CORPORATION (US) 1976-09-07 US claimed