SCHEMBL9737646

SCHEMBL9737646

CC1(C)Oc2ccc(C#N)cc2C(Oc2cc[nH]c(=O)c2)=C1CO

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.33
SCN10A Q9Y5Y9 4/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOB P27338 1/20 0.32
ABCC9 O60706 1/20 0.31
ABCB1 P08183 6/20 0.31
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
PPARG P37231 1/20 0.31
RIN1 Q13671 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
MALT1 Q9UDY8 1/20 0.30
PGR P06401 1/20 0.30
PDPK1 O15530 1/20 0.30
ALK Q9UM73 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
SCHEMBL9738641 0.85 NSD2 (0.33) CYP3A4NSD2ABL1PPARGRIN1
SCHEMBL9737886 0.83 TLK2 (0.32) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL9732950 0.83 PDPK1 (0.33) SCN8ASCN10AMAOBABCB1MALT1
SCHEMBL9739750 0.82 BRD4 (0.35) CYP3A4NSD2ABL1PPARGRIN1
SCHEMBL9737102 0.82 CNR2 (0.37) PDPK1
SCHEMBL9733219 0.80 LMNA (0.32) CYP3A4ALOX15ABCC9ABCB1MALT1
SCHEMBL9737151 0.79 ABCB1 (0.32) SCN8ASCN10AMAOBABCB1NSD2
SCHEMBL8130227 0.78 SCN8A (0.35) SCN8ASCN10ANSD2ABL1PPARG
SCHEMBL9737221 0.77 MALT1 (0.35) CYP3A4ALOX15MAOBABCC9ABCB1
SCHEMBL9371852 0.76 SCN8A (0.33) SCN8ASCN10AMAOBABCC9ABCB1

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-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed