SCHEMBL11268396

SCHEMBL11268396

O=C(NC(=O)c1ccccc1Cl)Nc1cc(-c2ccc(C(F)(F)F)cc2)on1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
EPHX2 P34913 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACR P10323 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
RPS6KA3 P51812 1/20 0.46
TP53 P04637 2/20 0.46
FAAH O00519 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
RORC P51449 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CRHR1 P34998 1/20 0.43

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
SCHEMBL8661526 0.89 RAB9A (0.50) GAANPC1RAB9ACYP1A2CYP2C19
SCHEMBL11261749 0.88 RAB9A (0.46) GAAEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL11253471 0.87 NPC1 (0.52) GAAEPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL11264322 0.85 GAA (0.52) GAAEPHX2NPC1RAB9AACR
SCHEMBL11300373 0.81 RAB9A (0.56) EPHX2NPC1RAB9ASMN1; SMN2ACR
SCHEMBL11299668 0.81 SMN1; SMN2 (0.55) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL11254846 0.81 EPHX2 (0.46) GAAEPHX2NPC1RAB9AACR
SCHEMBL11257811 0.80 TRPV1 (0.48) GAATDP1TP53TRPV1RORC
SCHEMBL11293488 0.79 SMN1; SMN2 (0.65) GAANPC1RAB9ACYP1A2CYP2C19
SCHEMBL11271217 0.79 LMNA (0.46) GAANPC1RAB9ASMN1; 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 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