SCHEMBL9712397

SCHEMBL9712397

O=[C]c1cc(Cl)cc(Cl)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.44
MAPK1 P28482 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
NR4A1 P22736 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9712450 0.89 CNR1 (0.48) SRD5A2CNR1CNR2CES2CES1
SCHEMBL9712500 0.79 SRD5A2 (0.44) SRD5A2MAPK1CNR2CES2CES1
SCHEMBL4745371 0.77 CNR1 (0.54) SRD5A2MAPK1CNR1CNR2CES2
SCHEMBL9712488 0.76 SRD5A2 (0.44) SRD5A2MAPK1CNR1CNR2CES2
SCHEMBL9712334 0.76 SRD5A2 (0.44) SRD5A2MAPK1CNR1CNR2CES2
SCHEMBL4746218 0.72 MAPK1 (0.63) SRD5A2MAPK1CNR1CNR2CES2
SCHEMBL4746671 0.71 POLB (0.55) SRD5A2CNR1MAPTRAB9AHPGD
SCHEMBL1460161 0.71 SRD5A2 (0.50) SRD5A2MAPK1CNR1CNR2CES2
SCHEMBL7264321 0.71 CES2 (0.53) SRD5A2MAPK1CNR1CNR2CES2
SCHEMBL9130311 0.70 NR4A1 (0.61) SRD5A2MAPK1CES2CES1MAPT

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-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 US disclosed