SCHEMBL9430112

SCHEMBL9430112

CCC1C(N)=C(c2c(C)cc(C)cc2C)C(=O)N1C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 4/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL9580536 0.62 CRHR1 (0.33) CRHR1
SCHEMBL13071295 0.62 CRHR1 (0.34) CRHR1KDM4E
SCHEMBL4246772 0.60 POLB (0.34) CRHR1KDM4E
SCHEMBL16187464 0.58 SIRT2 (0.36) CRHR1
SCHEMBL9430117 0.58 — —
SCHEMBL17843983 0.57 CRHR1 (0.33) CRHR1KDM4E
SCHEMBL17971688 0.56 KDM4E (0.34) KDM4E
SCHEMBL17843995 0.56 GAA (0.41) KDM4E
SCHEMBL317299 0.55 RAPGEF4 (0.50) KDM4E
SCHEMBL26200975 0.55 GRIN2D (0.39) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338860-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1994-08-16 — — US disclosed
EP-0547445-A1 4-(substituted)amino-3-aryl-pyrrolinone-2 derivatives and their use as herbicides BAYER AG (DE) 1993-06-23 — — EP disclosed
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