SCHEMBL29546263

SCHEMBL29546263

Nc1ccc(OC(F)(F)F)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.56
GPR3 P46089 5/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
SLC6A2 P23975 1/20 0.47
SCN4A P35499 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL442684 1.00 NR4A1 (0.56) NR4A1GPR3NPC1RAB9AGMNN
Hydrochloric Acid SCHEMBL9526864 0.98 NR4A1 (0.54) NR4A1GPR3NPC1RAB9AGMNN
SCHEMBL23651402 0.88 NR4A1 (0.65) NR4A1GPR3NPC1RAB9AGMNN
SCHEMBL24024734 0.84 MEN1 (0.54) NR4A1GAASCN5ASCN2AMAPK1
SCHEMBL1275899 0.83 GPR3 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL30459994 0.83 GPR3 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL519232 0.83 ALDH1A1 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL4448251 0.82 MAPT (0.49) NR4A1LMNATP53CYP3A4GAA
SCHEMBL1351195 0.81 CYP3A4 (0.45) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL11832556 0.81 GPR3 (0.44) NR4A1GPR3NPC1RAB9AGMNN

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117205212-A Quinoline derivatives for the treatment of inflammatory diseases ABIVAX公司 2023-12-12 CN claimed
WO-2025048759-A1 BENZIMIDAZOLE DERIVATIVES AS MPGES-1 INHIBITORS ICOSYN THERAPEUTICS SAGLIK TEKNOLOJILERI ANONIM SIRKETI (TR) 2025-03-06 WO disclosed
CN-113874074-B HMOX1 inducers 米托布里奇公司 2024-11-01 CN disclosed
CN-117440954-A Metabolic stable pyrimidinyl dihydroquinoxalinones as tubulin polymerization inhibitors 田纳西大学研究基金会 2024-01-23 CN disclosed
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 CN disclosed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
WO-2022165198-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2022-08-04 WO disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
CN-109790169-B Cyanopyrrolidine derivatives having activity as USP30 inhibitors 特殊治疗有限公司 2022-03-29 CN disclosed