SCHEMBL9711536

SCHEMBL9711536

CC1(c2ccccc2)CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPD P32754 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL9711461 0.86 HPD (0.42) HPGDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL9711473 0.79 HPD (0.43) HPGDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL9711509 0.75 HPGD (0.43) HPGDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL9711483 0.74 ALDH1A1 (0.40) HPDPOLBALDH1A1
SCHEMBL9711516 0.74 HPD (0.48) HPGDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL9711467 0.74 HPD (0.43) CYP3A4NPC1HPDPOLBALDH1A1
SCHEMBL9711492 0.74 HPD (0.43) HPGDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL8011992 0.73 HPD (0.43) HPGDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL9711504 0.73 SMN1; SMN2 (0.41) HPGDCYP1A2CYP3A4CYP2C19NPC1
SCHEMBL9711480 0.73 HPD (0.45) HPDPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed