SCHEMBL25898537

SCHEMBL25898537

C=CCNC(=O)c1cnc(SC)nc1C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
THRB P10828 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL22743267 0.85 RAB9A (0.47) AHRNPC1RAB9ATHRBRXFP1
SCHEMBL3970353 0.81 THRB (0.41) AHRTHRBRXFP1ALDH1A1HPGD
SCHEMBL15507761 0.77 HPGD (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL25895984 0.74 MAPT (0.41) THRBRXFP1ALDH1A1HPGDMAPK1
SCHEMBL29439796 0.73 HPGD (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL22715408 0.73 HPGD (0.40) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL5198021 0.73 RAB9A (0.65) AHRNPC1RAB9AMEN1KMT2A
SCHEMBL4762536 0.73 HTT (0.55) AHRNPC1RAB9AMEN1KMT2A
SCHEMBL18809975 0.72 ALDH1A1 (0.39) THRBRXFP1ALDH1A1HPGDMAPK1
SCHEMBL2221978 0.72 AHR (0.55) AHRNPC1RAB9AMEN1KMT2A

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-2023138362-A1 WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF 江苏天士力帝益药业有限公司 2023-07-27 WO disclosed