SCHEMBL31359564

SCHEMBL31359564

COC(=O)c1ccc(-n2nc(C(F)(F)F)cc2C)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 5/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
UBE2T Q9NPD8 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL25205472 1.00 CRACR2A (0.45) CRACR2ARAB9ANPC1KMT2AUBE2T
SCHEMBL22122545 0.82 HDAC3 (0.51) RAB9AMAPTL3MBTL1KDM4EHDAC3
SCHEMBL31255121 0.78 CYP1A2 (0.50) CRACR2AL3MBTL1KDM4EHDAC3HDAC4
SCHEMBL31255120 0.78 CYP1A2 (0.50) CRACR2AL3MBTL1KDM4EHDAC3HDAC4
SCHEMBL22143066 0.77 MAPT (0.44) KMT2AMAPTMAPK1L3MBTL1KDM4E
SCHEMBL31276280 0.76 STIM1 (0.52) MAPTMAPK1L3MBTL1KDM4EHDAC3
SCHEMBL31254635 0.76 KDM5A (0.47) CRACR2AL3MBTL1KDM4E
SCHEMBL25174562 0.76 STIM1 (0.52) MAPTMAPK1L3MBTL1KDM4EHDAC3
SCHEMBL1317978 0.75 MAPK1 (0.59) RAB9ANPC1KMT2AMAPTMAPK1
SCHEMBL15750843 0.75 MAPT (0.42) UBE2TMAPTL3MBTL1KDM4ESTIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119173515-A Small molecule inhibitors of ubiquitin-specific protease 1 (USP 1) and uses thereof 英矽智能科技知识产权有限公司 2024-12-20 CN disclosed