SCHEMBL10984073

SCHEMBL10984073

O=C(O)c1cc2ccc(Cl)cc2c(-c2ccccc2Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSPO P30536 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
NR1I3 Q14994 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CNR1 P21554 2/20 0.44
IGFBP3 P17936 3/20 0.42

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
SCHEMBL10988926 0.88 GRM2 (0.49) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL3590415 0.87 TSPO (0.59) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL31339992 0.87 TSPO (0.59) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL10990018 0.86 KMT2A (0.50) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL10994746 0.77 CSNK2A2 (0.55) KMT2ACNR1
SCHEMBL10993917 0.75 GRM2 (0.62) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL10987170 0.74 TSPO (0.58) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL15850566 0.74 TSPO (0.61) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL10986804 0.74 CNR1 (0.43) TSPOKMT2AMEN1CYP3A4CYP2C9
SCHEMBL3035741 0.73 KMT2A (0.46) TSPOKMT2AMEN1CYP3A4CYP2C9

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-4499094-A PREVENTION OF RESPIRATORY, UROGENITAL, CARDIOVASCULAR AND IMMUNOLOGICAL DISORDERS WHEN USING FOR BENZDIAPINES PHARMUKA LABORATOIRES (FR) 1985-02-12 US disclosed