SCHEMBL9711481

SCHEMBL9711481

Cc1csc(C2CC(=O)C(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(=O)N2C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.39
HPGD P15428 3/20 0.38
CYP2C19 P33261 2/20 0.38
HPD P32754 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9711575 0.83 NPC1 (0.43) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL9711526 0.80 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL9711475 0.80 TRPV1 (0.42) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL9711515 0.78 MAPT (0.41) SMN1; SMN2NPC1RAB9AHPGDCYP2C19
SCHEMBL9711484 0.78 MAPT (0.40) SMN1; SMN2POLBHPGDCYP2C19HPD
SCHEMBL8980327 0.75 CYP2C19 (0.40) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL9711611 0.75 HPD (0.49) SMN1; SMN2NPC1RAB9AHPGDCYP2C19
SCHEMBL9229472 0.73 SMN1; SMN2 (0.44) SMN1; SMN2POLBHPGDCYP2C19HPD
SCHEMBL9191354 0.70 HPD (0.67) SMN1; SMN2NPC1RAB9AHPGDCYP2C19
SCHEMBL10584273 0.70 HPD (0.44) SMN1; SMN2NPC1RAB9APOLBHPGD

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