SCHEMBL8939647

SCHEMBL8939647

Nc1ccc(C=Cc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
APP P05067 2/20 0.47
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NQO2 P16083 2/20 0.39
MAPK1 P28482 1/20 0.38
TRPA1 O75762 1/20 0.36
PIM1 P11309 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9680266 0.89 CYP3A4 (0.54) CYP19A1MAOAMAOBCYP3A4TSHR
SCHEMBL10458458 0.89 CYP3A4 (0.54) CYP19A1MAOAMAOBCYP3A4TSHR
SCHEMBL305858 0.89 CYP3A4 (0.54) CYP19A1MAOAMAOBCYP3A4TSHR
SCHEMBL10458459 0.89 CYP3A4 (0.54) CYP19A1MAOAMAOBCYP3A4TSHR
SCHEMBL9680269 0.89 CYP3A4 (0.54) CYP19A1MAOAMAOBCYP3A4TSHR
SCHEMBL305859 0.89 CYP3A4 (0.54) CYP19A1MAOAMAOBCYP3A4TSHR
SCHEMBL6507762 0.87 CYP3A4 (0.56) APPCYP3A4TSHRTDP1MAPT
SCHEMBL9679813 0.83 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTMAPK1
SCHEMBL9679810 0.83 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTMAPK1
SCHEMBL4599981 0.82 CYP3A4 (0.47) CYP19A1MAOAMAOBCYP3A4TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489387-A Separation agent comprising acyl- or carbamoyl-substituted polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-06 US disclosed
US-5415780-A Separation agent comprising acyl- or carbamoyl-substituted polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-16 US disclosed
US-5368737-A Resolution DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-29 US disclosed
US-5229002-A Separation of optical isomers, cellulose esterified with phenylazobenzoic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-20 US disclosed
US-5137638-A Mixture of orticla isomers; cellulose tricinnamate DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-11 US disclosed
US-5075009-A Optical resolution of racemic mixtures using a cellulose tris-4-biphenyl carboxylate DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US disclosed
US-5017290-A Chromatography DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed
US-4966694-A CELLULOSE TRI-BETA-NAPHTHOATE; OPTICAL RESOLUTIONS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1990-10-30 US disclosed
US-4879038-A Separation agent comprising acyl- or carbamoyl-substituted polysaccharide DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-07 US disclosed