SCHEMBL9711526

SCHEMBL9711526

Cc1csc(C2CC(=O)C(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(=O)N2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 4/20 0.39
POLB P06746 1/20 0.38
HPD P32754 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
USP7 Q93009 1/20 0.34
USP47 Q96K76 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL9711666 0.85 HPGD (0.45) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL9711509 0.81 HPGD (0.43) SMN1; SMN2NPC1RAB9AHPGDHPD
SCHEMBL9711492 0.81 HPD (0.43) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL9711544 0.81 HPD (0.40) SMN1; SMN2NPC1RAB9AHPGDHPD
SCHEMBL9711481 0.80 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AHPGDPOLB
SCHEMBL9711571 0.79 FLT1 (0.41) SMN1; SMN2HPGDHPDALDH1A1CYP1A2
SCHEMBL9711468 0.79 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AHPGDHPDALDH1A1
SCHEMBL9711519 0.79 TRPV1 (0.42) SMN1; SMN2HPGDPOLBHPDALDH1A1
SCHEMBL9711558 0.79 HPD (0.41) SMN1; SMN2NPC1RAB9AHPGDHPD
SCHEMBL9711462 0.79 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AHPGDPOLB

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