SCHEMBL25978733

SCHEMBL25978733

C=Cc1c(/C=C\C)c2ccccc2n1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
AVPR1A P37288 1/20 0.30

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
SCHEMBL19360262 0.95 KDM4E (0.33) KDM4EATML3MBTL1AVPR1A
SCHEMBL19781980 0.93 KDM4E (0.33) KDM4EATML3MBTL1AVPR1A
SCHEMBL29297666 0.93 AKR1C4 (0.31) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL25454226 0.93 KDM4E (0.33) KDM4EATML3MBTL1AVPR1A
SCHEMBL24006405 0.93 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL19360389 0.92 KDM4E (0.32) KDM4EATML3MBTL1AVPR1A
SCHEMBL25795380 0.92 KDM4E (0.32) KDM4EATML3MBTL1AVPR1A
SCHEMBL25989362 0.91 KDM4E (0.34) KDM4EATML3MBTL1
SCHEMBL24006933 0.90 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL22210767 0.89 AVPR1A (0.33) KDM4EATML3MBTL1AKR1C4AKR1C3

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
US-20230255106-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-08-10 US disclosed