SCHEMBL31437812

SCHEMBL31437812

COC(=O)c1cc(-c2cccs2)cnc1NC#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ CHEK1 O14757 2/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ ADORA2A P29274 1/20 0.38

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
SCHEMBL31437927 0.82 NEK2 (0.57) NEK2NR4A2KMT2AMEN1KDM4E
SCHEMBL23791804 0.82 NEK2 (0.57) NEK2NR4A2KMT2AMEN1KDM4E
SCHEMBL25544946 0.80 NR4A2 (0.50) NEK2NR4A2KMT2AMEN1KDM4E
SCHEMBL30295565 0.79 KMT2A (0.49) NEK2NR4A2KMT2AMEN1KDM4E
SCHEMBL25545582 0.79 KMT2A (0.49) NEK2NR4A2KMT2AMEN1KDM4E
SCHEMBL25560844 0.73 MAPT (0.43) NEK2NR4A2KMT2AMEN1KDM4E
SCHEMBL20235825 0.71 NR4A2 (0.60) NR4A2KMT2AMEN1KDM4ERAB9A
SCHEMBL3348427 0.70 NR4A2 (0.58) NR4A2KMT2AMEN1KDM4ERAB9A
SCHEMBL31437962 0.70 CYP2A6 (0.52) NR4A2KMT2AMEN1KDM4ERAB9A
SCHEMBL21798966 0.70 HDAC1 (0.59) NR4A2KDM4EMAPTNPC1HDAC3

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
WO-2025011533-A1 CARBOXYLIC ACID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2025-01-16 — — WO disclosed
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