SCHEMBL9909832

SCHEMBL9909832

Cc1cc(OCCN)ccc1C/C(C(N)=O)=C(/N)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.39
MAOB P27338 2/20 0.38
PLAU P00749 1/20 0.35
PDIA6 Q15084 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL9909784 0.87 PARP10 (0.41) MAOBMAOA
SCHEMBL4841319 0.78 MTNR1A (0.41) CARM1PLAUPDIA6
SCHEMBL9909818 0.73 CARM1 (0.38) CARM1
SCHEMBL8091595 0.68 DRD2 (0.51) CARM1PDIA6
SCHEMBL11306679 0.66 HTR1A (0.48) CARM1
SCHEMBL18185301 0.66 IDO1 (0.39)
SCHEMBL25155134 0.66 PDIA6 (0.42) CARM1PLAUPDIA6
SCHEMBL23735695 0.65 CARM1 (0.47) CARM1
SCHEMBL454009 0.65 KDM4E (0.45) CARM1PLAUPDIA6
SCHEMBL21601187 0.65 CARM1 (0.45) CARM1MAOBPDIA6

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-1548024-B1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2012-06-06 EP disclosed