SCHEMBL9711666

SCHEMBL9711666

Cc1ccc(C2CC(=O)C(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C(=O)N2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
POLB P06746 1/20 0.41
HPD P32754 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LGALS3 P17931 1/20 0.36
LGALS4 P56470 1/20 0.36
KCNMA1 Q12791 1/20 0.36
FPR1 P21462 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL9711509 0.90 HPGD (0.43) HPGDHPDSMN1; SMN2NPC1RAB9A
SCHEMBL9711519 0.89 TRPV1 (0.42) HPGDPOLBHPDSMN1; SMN2MAPT
SCHEMBL9711571 0.89 FLT1 (0.41) HPGDHPDSMN1; SMN2MAPTCYP1A2
SCHEMBL9711468 0.89 SMN1; SMN2 (0.38) HPGDHPDSMN1; SMN2RAB9AMAPT
SCHEMBL9711462 0.89 SMN1; SMN2 (0.38) HPGDPOLBHPDSMN1; SMN2NPC1
SCHEMBL9711558 0.87 HPD (0.41) HPGDHPDSMN1; SMN2NPC1RAB9A
SCHEMBL9711544 0.87 HPD (0.40) HPGDHPDSMN1; SMN2NPC1RAB9A
SCHEMBL9711526 0.85 SMN1; SMN2 (0.41) HPGDPOLBHPDSMN1; SMN2NPC1
SCHEMBL9711492 0.83 HPD (0.43) HPGDPOLBHPDSMN1; SMN2NPC1
SCHEMBL9711701 0.82 ALDH1A1 (0.43) HPGDSMN1; SMN2NPC1RAB9AMAPT

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