SCHEMBL9711504

SCHEMBL9711504

CC1(C)CNC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 1/20 0.40
HPD P32754 1/20 0.40
HPGD P15428 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 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
SCHEMBL9711546 0.84 HPD (0.61) HPDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9240067 0.82 HPD (0.46) SMN1; SMN2POLBHPDHPGDCYP1A2
SCHEMBL9711461 0.80 HPD (0.42) SMN1; SMN2POLBHPDHPGDCYP1A2
SCHEMBL9711516 0.79 HPD (0.48) SMN1; SMN2HPDHPGDCYP1A2CYP3A4
SCHEMBL9711511 0.79 SMN1; SMN2 (0.43) SMN1; SMN2POLBHPDHPGDCYP1A2
SCHEMBL1132003 0.79 POLB (0.45) SMN1; SMN2POLBHPDHPGDCYP1A2
SCHEMBL9711680 0.79 SMN1; SMN2 (0.42) SMN1; SMN2POLBHPDHPGDCYP1A2
SCHEMBL9871935 0.78 SMN1; SMN2 (0.48) SMN1; SMN2POLBHPDHPGDCYP1A2
SCHEMBL9874527 0.76 HPD (0.42) SMN1; SMN2POLBHPDHPGDCYP1A2
SCHEMBL9814693 0.76 SMN1; SMN2 (0.44) SMN1; SMN2POLBHPDHPGDCYP1A2

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