SCHEMBL11263501

SCHEMBL11263501

Nc1onc(-c2ccc(C(F)(F)F)cc2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 8/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
KIF11 P52732 2/20 0.44
MAPK14 Q16539 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
STAT3 P40763 2/20 0.41
CASP3 P42574 2/20 0.40
STAT1 P42224 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 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
SCHEMBL5151144 0.77 PTGS1 (0.53) MLYCDMEN1KMT2A
SCHEMBL2118466 0.76 TRPV1 (0.44) MLYCDMEN1KMT2ATRPV1GPBAR1
SCHEMBL2120590 0.76 TRPV1 (0.58) MEN1KMT2ATRPV1GPBAR1STAT3
SCHEMBL11267587 0.73 TRPV1 (0.48) MEN1KMT2ATRPV1KIF11CASP3
SCHEMBL2117873 0.68 PTGS1 (0.47) MEN1KMT2ATRPV1GPBAR1STAT3
SCHEMBL4424848 0.68 MLYCD (1.00) MLYCDMAPK14
SCHEMBL16739695 0.67 PLAU (0.60) MKNK1MKNK2KIF11
SCHEMBL22925912 0.67 NOTUM (0.61) KIF11CASP3S1PR1S1PR3
SCHEMBL5775028 0.67 GABRA5 (0.52) MLYCDMEN1KMT2AKIF11GPBAR1
SCHEMBL8764860 0.66 MLYCD (0.44) MLYCD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336264-A 1-Benzoyl-3-(isoxazolyl or benzisoxazolyl)-ureas and insecticidal use thereof ELI LILLY AND COMPANY (US) 1982-06-22 US disclosed