SCHEMBL27700899

SCHEMBL27700899

CCOc1cccc(N=C=O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37
DAO P14920 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PABPC1 P11940 1/20 0.36
CYP2A6 P11509 1/20 0.36
GRK6 P43250 1/20 0.36
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL30075523 0.83 CYP3A4 (0.47) CYP3A4GABRA1GABRB2L3MBTL1ALDH1A1
SCHEMBL1021154 0.83 CYP3A4 (0.47) CYP3A4GABRA1GABRB2L3MBTL1ALDH1A1
SCHEMBL15352051 0.82 CYP3A4 (0.61) CYP3A4GABRA1GABRB2L3MBTL1ALDH1A1
SCHEMBL2170759 0.82 GABRA1 (0.49) CYP3A4GABRA1GABRB2L3MBTL1ALDH1A1
SCHEMBL3955069 0.82 CYP3A4 (0.47) CYP3A4GABRA1GABRB2L3MBTL1ALDH1A1
SCHEMBL3548169 0.81 CYP3A4 (0.50) CYP3A4GABRA1GABRB2ALDH1A1MAPT
SCHEMBL12005486 0.80 LIG1 (0.41) CYP3A4GABRA1GABRB2L3MBTL1MAPT
SCHEMBL9491190 0.78 CYP3A4 (0.53) CYP3A4GABRA1GABRB2L3MBTL1ALDH1A1
SCHEMBL9622719 0.78 GABRA1 (0.55) CYP3A4GABRA1GABRB2L3MBTL1ALDH1A1
SCHEMBL3785688 0.76 ALDH1A1 (0.52) L3MBTL1ALDH1A1MAPTNPSR1GLA

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-101098931-A Thermoplastic resin composition, optical film, and process for producing film JSR CORP (JP) 2008-01-02 CN disclosed