SCHEMBL9711511

SCHEMBL9711511

CN1CC(C)(C)C(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
CYP2C19 P33261 3/20 0.40
POLB P06746 1/20 0.40
HPD P32754 1/20 0.39
HPGD P15428 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL9711550 0.85 ALDH1A1 (0.39) SMN1; SMN2POLBHPDLMNAALDH1A1
SCHEMBL9711688 0.84 HPD (0.60) CYP2C19HPDCYP1A2CYP3A4FLT1
SCHEMBL9240067 0.81 HPD (0.46) SMN1; SMN2CYP2C19POLBHPDHPGD
SCHEMBL9711611 0.81 HPD (0.49) SMN1; SMN2CYP2C19HPDHPGDCYP1A2
SCHEMBL998548 0.80 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19POLBHPDHPGD
SCHEMBL9871935 0.79 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19POLBHPDHPGD
SCHEMBL9711504 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19POLBHPDHPGD
SCHEMBL1132003 0.78 POLB (0.45) SMN1; SMN2CYP2C19POLBHPDHPGD
SCHEMBL9229472 0.75 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19POLBHPDHPGD
SCHEMBL9814693 0.75 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19POLBHPDHPGD

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