SCHEMBL11266098

SCHEMBL11266098

COc1cccc(OC)c1C(=O)NC(=O)Nc1cc(-c2ccc(C(F)(F)F)cc2)on1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.46
STAT3 P40763 1/20 0.44
STAT1 P42224 1/20 0.44
BRAF P15056 1/20 0.44
KDM4E B2RXH2 2/20 0.44
EPHX2 P34913 1/20 0.43
HCRTR1 O43613 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
NPC1 O15118 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL11254846 0.85 EPHX2 (0.46) GAAEPHX2RAB9ATRPV1NPC1
SCHEMBL11261749 0.84 RAB9A (0.46) GAAEPHX2SMN1; SMN2RAB9ATRPV1
SCHEMBL11264322 0.81 GAA (0.52) GAAKDM4EEPHX2RAB9ATRPV1
SCHEMBL11253471 0.79 NPC1 (0.52) GAAEPHX2SMN1; SMN2RAB9ATRPV1
SCHEMBL11295953 0.77 EPHX2 (0.49) EPHX2SMN1; SMN2RAB9ATRPV1NPC1
SCHEMBL11268396 0.77 GAA (0.50) GAACYP1A2CYP2C19EPHX2SMN1; SMN2
SCHEMBL11296385 0.76 IL2 (0.51) CYP1A2EPHX2SMN1; SMN2RAB9ATRPV1
SCHEMBL11271217 0.75 LMNA (0.46) GAAKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL11300373 0.75 RAB9A (0.56) EPHX2SMN1; SMN2RAB9ATRPV1NPC1
SCHEMBL10869152 0.73 KDM4E (0.58) GAAATMBRAFKDM4EEPHX2

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 claimed