SCHEMBL61417

SCHEMBL61417

CC(=O)Nc1ccc(C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 1.00
PKM P14618 2/20 0.74
SMN1; SMN2 Q16637 4/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
HTT P42858 1/20 0.70
KMT2A Q03164 6/20 0.67
MEN1 O00255 4/20 0.67
ALDH1A1 P00352 3/20 0.67
MAPT P10636 3/20 0.67
CA12 O43570 1/20 0.67
BRD4 O60885 1/20 0.67
NR1I2 O75469 1/20 0.67
CA1 P00915 1/20 0.67
CA2 P00918 1/20 0.67
MB P02144 1/20 0.67
CYP1A1 P04798 1/20 0.67
CA3 P07451 1/20 0.67
CYP3A4 P08684 1/20 0.67
RARG P13631 1/20 0.67
TSHR P16473 1/20 0.67

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
SCHEMBL11244788 0.93 TDP1 (0.87) TDP1PKMSMN1; SMN2L3MBTL1HTT
SCHEMBL4647437 0.93 TDP1 (0.87) TDP1PKMSMN1; SMN2L3MBTL1HTT
SCHEMBL861674 0.89 SMN1; SMN2 (0.84) TDP1SMN1; SMN2L3MBTL1HTTKMT2A
SCHEMBL12259233 0.88 NPC1 (0.85) TDP1PKMSMN1; SMN2L3MBTL1KMT2A
SCHEMBL5612841 0.88 TDP1 (0.77) TDP1PKMSMN1; SMN2L3MBTL1HTT
SCHEMBL12620630 0.88 TDP1 (0.77) TDP1PKMSMN1; SMN2L3MBTL1HTT
SCHEMBL14384400 0.88 TDP1 (0.77) TDP1PKMSMN1; SMN2L3MBTL1HTT
SCHEMBL8737881 0.88 TDP1 (0.77) TDP1PKMSMN1; SMN2L3MBTL1HTT
SCHEMBL18405965 0.88 TDP1 (0.77) TDP1PKMSMN1; SMN2L3MBTL1HTT
SCHEMBL4199168 0.88 TDP1 (0.77) TDP1PKMSMN1; SMN2L3MBTL1HTT

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 2217 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383909-A1 CO-CRYSTALS INTRA-CELLULAR THERAPIES, INC. 2024-11-21 US claimed
EP-4395767-A2 CO-CRYSTALS Intra-Cellular Therapies, Inc. (US) 2024-07-10 EP claimed
CN-117732278-A Desalination separation membrane and preparation method and application thereof 江南大学 2024-03-22 CN claimed
CN-113773221-B P-benzoquinone compound and preparation method thereof 湖北工业大学 2023-09-29 CN claimed
CN-114573582-B 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2023-06-16 CN claimed
WO-2023034965-A2 CO-CRYSTALS INTRA-CELLULAR THERAPIES, INC. (US) 2023-03-09 WO claimed
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US claimed
CN-114573582-A 1,2,3, 4-tetrahydropyrido [2,3-d ] pyrimidine compound and preparation method and application thereof 沈阳药科大学 2022-06-03 CN claimed
CN-113999130-A Preparation method of o-nitroanilide compound 湖北工业大学 2022-02-01 CN claimed
CN-113773221-A P-benzoquinone compound and preparation method thereof 湖北工业大学 2021-12-10 CN claimed
CN-1052299-A From the mixture that contains aromatic ketone, remove hydrofluoric method HOECHST CELANESE CORP (US) 1991-06-19 CN claimed
US-4600797-A NITRATING AN AMINOBENZENE WHICH HAS A PROTECTEDD AMINO GROUP BAYER AKTIENGESELLSCHAFT (DE) 1986-07-15 US claimed
EP-0053890-B1 PRODUCTION OF ARYL ACYLAMIDASES The Public Health Laboratory Service Board (GB) 1985-02-13 EP claimed
US-4430433-A CULTURES, PSEUDOMONAS, HYDROLYSIS OF N-ACETYL-4-HYDROXYANILINE TO 4-HYDROXYANILINE PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1984-02-07 US claimed
US-4394309-A Process for the preparation of N,N-dimethyl-N-(2-bromo-4-methylphenyl)-triazene BAYER AKTIENGESELLSCHAFT (DE) 1983-07-19 US claimed
EP-0037948-B1 PROCESS FOR PREPARING N,N'-DIMETHYL-N'-(2-BROMO-4-METHYLPHENYL) TRIAZENE BAYER AG (DE) 1983-04-20 EP claimed
EP-0027658-B1 PROCESS FOR THE PRODUCTION OF 3-NITRO-4-AMINOTOLUENE BAYER AG (DE) 1982-05-26 EP claimed
EP-0037948-A1 Process for preparing N,N'-dimethyl-N'-(2-bromo-4-methylphenyl) triazene BAYER AG (DE) 1981-10-21 EP claimed
EP-0027658-A1 Process for the production of 3-nitro-4-aminotoluene BAYER AG (DE) 1981-04-29 EP claimed
US-4220601-A Process for the continuous manufacture of 3-nitro-4-acetylamino-toluene and corresponding apparatus HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-02 US claimed