SCHEMBL5200812

SCHEMBL5200812

NC(=O)Oc1ncccc1Br

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GRM4 Q14833 1/20 0.38
PARP1 P09874 2/20 0.38
NAPRT Q6XQN6 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP2 O95551 1/20 0.34
NSD2 O96028 1/20 0.34
S100A4 P26447 1/20 0.34
PAX8 Q06710 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3684308 0.81 PDE10A (0.43) PDE10AALDH1A1RAB9AGRM4SMN1; SMN2
SCHEMBL7605126 0.79 KDM4E (0.41) ALDH1A1RAB9AMEN1KMT2APARP1
SCHEMBL1767096 0.79 RAB9A (0.41) ALDH1A1RAB9AMEN1KMT2APARP1
SCHEMBL5206688 0.79 RAB9A (0.41) ALDH1A1RAB9AMEN1KMT2APARP1
SCHEMBL29119695 0.78 PLAU (0.51) MEN1KMT2AGRM4PARP1KDM4E
SCHEMBL4081448 0.78 RAB9A (0.40) ALDH1A1RAB9AMEN1KMT2APARP1
SCHEMBL28683997 0.78 PLAU (0.44) RAB9AMEN1KMT2APARP1SMN1; SMN2
SCHEMBL15880497 0.78 HTT (0.42) ALDH1A1RAB9AMEN1KMT2APARP1
SCHEMBL28793465 0.78 RAB9A (0.46) ALDH1A1RAB9AMEN1KMT2APARP1
SCHEMBL29230750 0.78 RAB9A (0.40) PDE10AALDH1A1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624191-A Indazole carboxamide derivatives, preparation method and application thereof 熙源安健医药(上海)有限公司 2024-03-01 CN disclosed
CN-117466893-A Pyridocycloheptane derivative and preparation method and application thereof 熙源安健医药(上海)有限公司 2024-01-30 CN disclosed
EP-2603513-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 WO disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO disclosed