SCHEMBL11275129

SCHEMBL11275129

NC(=O)c1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDH1 P12830 1/20 0.61
CTNNB1 P35222 1/20 0.61
TCF7L2 Q9NQB0 1/20 0.61
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
TP53 P04637 3/20 0.57
MAPK1 P28482 1/20 0.57
ACR P10323 1/20 0.56
MAPT P10636 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NOTUM Q6P988 1/20 0.54
THRB P10828 3/20 0.53
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL892967 0.84 CDH1 (0.82) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL16401825 0.84 CDH1 (0.63) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL2791692 0.83 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TP53ACR
SCHEMBL2678323 0.82 ALDH1A1 (0.73) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL24198778 0.79 SMN1; SMN2 (0.59) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL5375870 0.79 ACR (0.58) NPC1RAB9ASMN1; SMN2TP53ACR
SCHEMBL20149361 0.76 CDH1 (1.00) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL18257901 0.76 CDH1 (0.70) CDH1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL9057987 0.75 TP53 (0.65) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL1686347 0.75 POLB (0.66) CDH1CTNNB1TCF7L2SMN1; SMN2TP53

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-4322429-A Isoxazolylbenzamides as insecticides ELI LILLY AND COMPANY (US) 1982-03-30 US disclosed
EP-0048162-A1 Isoxazolylbenzamides ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed