SCHEMBL2943595

SCHEMBL2943595

Nc1cc(Oc2ccccc2)c(Cl)c(Cl)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
THRB P10828 1/20 0.46
DPP4 P27487 1/20 0.42
MAOB P27338 1/20 0.41
MAOA P21397 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.39

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
SCHEMBL30561268 0.79 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL679994 0.79 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL11819263 0.77 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL10519038 0.77 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL30623672 0.77 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL11414957 0.76 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL11745041 0.75 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL3688370 0.75 CYP3A4 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL1965052 0.74 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL2210191 0.74 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010104985-A GAS SEPARATION MEMBRANE MADE OF POLYIMIDE AND GAS SEPARATION METHOD UBE IND LTD 2010-05-13 JP disclosed
JP-2010082549-A ASYMMETRICAL HOLLOW FIBER MEMBRANE FOR GAS SEPARATION AND METHOD FOR GAS SEPARATION UBE IND LTD 2010-04-15 JP disclosed
EP-0215312-B1 METHOD FOR PRODUCING OF POLYARYLENE SULFIDES IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1992-03-25 EP disclosed
US-4810773-A HIGH MOLECULAR WEIGHT ENGINEERING THERMOPLASTICS IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1989-03-07 US disclosed
EP-0215312-A1 Method for producing of polyarylene sulfides IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1987-03-25 EP disclosed