SCHEMBL9737151

SCHEMBL9737151

COCC1(C)Oc2ccc(C#N)cc2C(Oc2cc[nH]c(=O)c2)=C1C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.32
MALT1 Q9UDY8 1/20 0.31
SCN8A Q9UQD0 3/20 0.31
SCN10A Q9Y5Y9 3/20 0.31
MAOB P27338 1/20 0.31
NSD2 O96028 1/20 0.30
ABL1 P00519 1/20 0.30
PPARG P37231 1/20 0.30
RIN1 Q13671 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
BRD4 O60885 1/20 0.30
BRD9 Q9H8M2 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
SCHEMBL9734747 0.85 NSD2 (0.32) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL9735525 0.80 KDM4E (0.33) ABCB1MALT1
SCHEMBL9737646 0.79 SCN8A (0.33) ABCB1MALT1SCN8ASCN10AMAOB
SCHEMBL9736303 0.79 MALT1 (0.36) ABCB1MALT1MAOBPDE4APDE4B
SCHEMBL9732950 0.78 PDPK1 (0.33) ABCB1MALT1SCN8ASCN10AMAOB
SCHEMBL9371852 0.76 SCN8A (0.33) ABCB1MALT1SCN8ASCN10AMAOB
SCHEMBL8130227 0.75 SCN8A (0.35) SCN8ASCN10ANSD2ABL1PPARG
SCHEMBL9735328 0.71 MAOB (0.33) ABCB1MALT1MAOBPDE4APDE4B
SCHEMBL9200740 0.70 ABCC9 (0.41) ABCB1
SCHEMBL9735762 0.69 ABCC9 (0.42) ABCB1MALT1MAOBPDE4APDE4B

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