SCHEMBL3550116

SCHEMBL3550116

O=C(O)c1cc([N+](=O)[O-])ccc1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPT P10636 3/20 0.58
TP53 P04637 2/20 0.54
HTT P42858 2/20 0.54
CTSV O60911 2/20 0.54
CTSL P07711 2/20 0.54
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MYC P01106 1/20 0.48

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
SCHEMBL1024380 0.85 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL3551511 0.84 KMT2A (0.60) ALDH1A1TDP1CYP3A4ALOX15KMT2A
SCHEMBL3554236 0.84 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL260006 0.82 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL27967257 0.82 LMNA (0.59) ALDH1A1MAPTTP53HTTCTSV
SCHEMBL16957420 0.81 HTT (0.50) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL679262 0.81 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15MAPT
Hydrochloric Acid SCHEMBL10694666 0.81 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11810168 0.81 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL11351093 0.81 ALDH1A1 (0.68) ALDH1A1TDP1CYP3A4ALOX15MAPT

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

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780995-B2 VIRICIDES; ANTICANCER AGENTS ISOTECHNIKA INC. (CA) 2004-08-24 US claimed
JP-10182551-A None JP disclosed
WO-2024028169-A1 NOVEL SPECIFICALLY SUBSTITUTED THIOPHENOLIC COMPOUNDS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2024-02-08 WO disclosed
CN-112110877-B Benzisoselenazolone derivative, preparation method and application thereof in anti-coronavirus medicament 青岛大学 2023-09-08 CN disclosed
CN-113200908-B Tertiary amine-containing anthranilamide compound and preparation and application thereof 南华大学 2022-07-19 CN disclosed
CN-113200908-A Tertiary amine-containing anthranilamide compound and preparation and application thereof 南华大学 2021-08-03 CN disclosed
CN-112110877-A Benzisoselenazolone derivative, preparation method and application in anti-coronavirus drugs 青岛大学 2020-12-22 CN disclosed
WO-2020130081-A1 METHOD FOR PRODUCING 2-IODOSOBENZOIC ACIDS 学校法人立命館 2020-06-25 WO disclosed
CN-107513020-B A kind of synthetic method of m-iodonitrobenzene compound NANCHANG UNIVERSITY (CN) 2019-10-29 CN disclosed
CN-109563049-A imidazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2019-04-02 CN disclosed
EP-0973727-A2 ACTIVATED IODODERIVATIVES FOR THE TREATMENT OF CANCER AND AIDS ISOTECHNIKA,INC. (CA) 2000-01-26 EP disclosed
EP-0912899-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION Biotraces, Inc. (US) 1999-05-06 EP disclosed
US-5877185-A THERAPY FOR CANCER OR RETROVIRUS OCTAMER, INC. (US) 1999-03-02 US disclosed
WO-1998045253-A1 ACTIVATED IODODERIVATIVES FOR THE TREATMENT OF CANCER AND AIDS ISOTECHNIKA, INC. (CA) 1998-10-15 WO disclosed
JP-H10182551-A SUBSTITUTED BENZOIC ACID DERIVATIVES, THEIR PRODUCTION AND USE OF THE COMPOUNDS ON THERAPY OF DISEASE HOECHST AG 1998-07-07 JP disclosed
WO-1998002750-A1 ENHANCED CHROMATOGRAPHY USING MULTIPHOTON DETECTION BIOTRACES, INC. (US) 1998-01-22 WO disclosed
EP-0816329-A1 Benzoic acid derivatives, process for their preparation and their use for the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed
WO-1996022791-A9 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS 1996-10-03 WO disclosed
WO-1996022791-A1 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS OCTAMER, INC. (US) 1996-08-01 WO disclosed
US-4104270-A Process for the manufacture of aromatic phosphonates IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-01 US disclosed