SCHEMBL11280642

SCHEMBL11280642

O=C(c1c(Cl)cccc1Cl)N(C(=O)c1c(Cl)cccc1Cl)c1cc(-c2ccc(Cl)cc2)on1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CDH1 P12830 1/20 0.44
CTNNB1 P35222 1/20 0.44
TCF7L2 Q9NQB0 1/20 0.44
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
NOTUM Q6P988 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 2/20 0.40

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
SCHEMBL11279312 0.87 SMN1; SMN2 (0.50) SMN1; SMN2CDH1CTNNB1TCF7L2THRB
SCHEMBL11274781 0.87 TRPV1 (0.42) SMN1; SMN2RAB9ANPC1NOTUMMAPT
SCHEMBL11285150 0.76 RAB9A (0.64) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL11282455 0.75 SMN1; SMN2 (0.48) SMN1; SMN2CDH1CTNNB1TCF7L2TP53
SCHEMBL6027661 0.69 SMN1; SMN2 (0.60) SMN1; SMN2CDH1CTNNB1TCF7L2RAB9A
SCHEMBL11279357 0.68 RAB9A (0.61) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL11299628 0.68 RAB9A (0.64) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL11276082 0.68 RAB9A (0.60) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL10870497 0.68 SMN1; SMN2 (0.57) SMN1; SMN2CDH1CTNNB1TCF7L2RAB9A
SCHEMBL11294081 0.68 RAB9A (0.67) SMN1; SMN2RAB9ANPC1MAPTTP53

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 3 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 claimed
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