SCHEMBL27900596

SCHEMBL27900596

CC(C#N)OCc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
PNMT P11086 2/20 0.49
GRM5 P41594 2/20 0.46
MAOB P27338 4/20 0.43
MAOA P21397 2/20 0.43
ENPP2 Q13822 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
NR4A2 P43354 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
SCHEMBL10314841 0.81 CYP3A4 (0.58) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL4782196 0.79 MAOB (0.43) IDO1AGXTMAOBCTSBCTSS
SCHEMBL4730931 0.79 MAOB (0.43) IDO1AGXTMAOBCTSBCTSS
SCHEMBL25671333 0.78 CYP3A4 (0.55) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL6802523 0.76 CYP3A4 (0.49) CYP3A4IDO1AGXTMAOBMAOA
SCHEMBL18596694 0.75 CYP3A4 (0.55) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL14814484 0.74 CYP3A4 (0.50) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL14814486 0.74 CYP3A4 (0.50) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL17218884 0.72 CYP3A4 (0.51) CYP3A4IDO1AGXTPNMTMAOB
SCHEMBL17218881 0.72 CYP3A4 (0.51) CYP3A4IDO1AGXTPNMTMAOB

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
CN-102834774-A Actinic ray-sensitive or radiation-sensitive resin composition, resist film using same, and pattern formation method FUJIFILM CORP 2012-12-19 CN disclosed