SCHEMBL9735328

SCHEMBL9735328

COCC1(C)Oc2ccc(C#N)cc2C(n2ccccc2=O)=C1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.33
ABCB1 P08183 7/20 0.33
MALT1 Q9UDY8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ABCC9 O60706 3/20 0.32
ICMT O60725 2/20 0.32
HTR1A P08908 2/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 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
SCHEMBL9737036 0.85 NPSR1 (0.32) MAOBCYP3A4
SCHEMBL7267575 0.84 ABCC9 (0.37) MAOBABCB1MALT1ABCC9HTR1A
SCHEMBL9737279 0.82 CHRM2 (0.34) MALT1HTR1A
SCHEMBL9734818 0.82 ALOX5 (0.36)
SCHEMBL9194883 0.79 PDE4A (0.36) MAOBABCB1MALT1PDE4APDE4B
SCHEMBL8090669 0.79 MALT1 (0.36) MALT1PDE4APDE4BPDE4CPDE4D
SCHEMBL8088358 0.78 MALT1 (0.35) MALT1PDE4APDE4BPDE4CPDE4D
SCHEMBL9735762 0.78 ABCC9 (0.42) MAOBABCB1MALT1PDE4APDE4B
SCHEMBL9147323 0.77 ABCB1 (0.33) MAOBABCB1PDE4APDE4BPDE4C
SCHEMBL9148650 0.77 ABCC9 (0.33) MAOBABCB1MALT1ABCC9HTR1A

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed