SCHEMBL19655849

SCHEMBL19655849

CCCOC(=O)Nc1nc(Oc2ccccc2OCc2ccccc2)c(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.40
EGFR P00533 4/20 0.40
KDR P35968 3/20 0.40
PTGER1 P34995 3/20 0.39
RORC P51449 1/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 3/20 0.38
PPIF P30405 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL19641805 0.92 PTGER1 (0.46) PPIAPTGER1RORCNPC1SMN1; SMN2
SCHEMBL19655870 0.75 PPIA (0.35) PPIAPTGER1NPC1SMN1; SMN2BRD4
SCHEMBL19655811 0.75 HTT (0.49) PTGER1SMN1; SMN2BRD4
SCHEMBL29435259 0.74 LTA4H (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL19641833 0.74 LTA4H (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL21032712 0.72 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28953020 0.71 KCNQ2 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL29435282 0.71 PLAU (0.38) PTGER1NPC1RAB9ASMN1; SMN2BRD4
SCHEMBL19641832 0.71 PLAU (0.38) PTGER1NPC1RAB9ASMN1; SMN2BRD4
SCHEMBL22789719 0.70 TSHR (0.48) TP53SMN1; SMN2ALDH1A1

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
WO-2017202768-A1 HERBICIDAL URACILPYRID BASF SE (DE) 2017-11-30 WO disclosed