SCHEMBL24405778

SCHEMBL24405778

COc1ccc(C#N)c(-n2c(=O)n(C)c3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.41
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ PABPC1 P11940 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TP53 P04637 1/20 0.39

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
SCHEMBL24405919 0.81 CYP1A2 (0.47) RXFP1MAPTKDM4EKMT2AALDH1A1
SCHEMBL24405804 0.80 CYP1A2 (0.40) RXFP1MAPTKDM4EKMT2AALDH1A1
SCHEMBL21116903 0.71 MEN1 (0.47) RXFP1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL21116343 0.71 MEN1 (0.52) RXFP1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL21116340 0.68 PGR (0.46) L3MBTL1MAPTKDM4EKMT2AALDH1A1
SCHEMBL21116339 0.68 PGR (0.46) L3MBTL1MAPTKDM4EKMT2AALDH1A1
SCHEMBL14309662 0.68 TDP2 (0.54) L3MBTL1MAPTHPGDTP53BRPF1
SCHEMBL24405600 0.68 RXFP1 (0.47) RXFP1L3MBTL1MAPTKDM4EKMT2A
SCHEMBL4619699 0.67 BRD4 (0.66) L3MBTL1MAPTKDM4EKMT2AALDH1A1
SCHEMBL30293254 0.67 BRD4 (0.66) L3MBTL1MAPTKDM4EKMT2AALDH1A1

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
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
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