SCHEMBL24176373

SCHEMBL24176373

Clc1ccc2nc(Nc3cc(Br)nnc3Br)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 10/20 0.48
▸ FBP1 P09467 1/20 0.44
▸ KCNH2 Q12809 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ S1PR1 P21453 4/20 0.41
▸ PSMB8 P28062 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ C1R P00736 1/20 0.39

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
SCHEMBL24176366 0.78 S1PR3 (0.50) S1PR3FBP1KCNH2MEN1GAA
SCHEMBL24176368 0.76 S1PR3 (0.49) S1PR3FBP1KCNH2MEN1GAA
SCHEMBL19899666 0.74 S1PR3 (0.51) S1PR3FBP1KCNH2MEN1GAA
SCHEMBL19899734 0.72 S1PR3 (0.49) S1PR3FBP1PIK3CGRAB9AMAPT
SCHEMBL19899802 0.72 S1PR3 (0.49) S1PR3FBP1KCNH2MEN1GAA
SCHEMBL19914235 0.71 S1PR3 (0.51) S1PR3FBP1KCNH2MEN1GAA
SCHEMBL24176369 0.71 MEN1 (0.54) MEN1GAAKMT2ARAB9AMAPT
SCHEMBL2135773 0.70 PIK3CG (0.61) S1PR3FBP1MEN1GAAKMT2A
SCHEMBL18028787 0.70 S1PR3 (0.60) S1PR3FBP1PIK3CGRAB9AMAPT
SCHEMBL17469473 0.70 S1PR3 (0.60) S1PR3FBP1PIK3CGRAB9AMAPT

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-2022001998-A1 DIARYLAMINE DERIVATIVE USED AS FUNGICIDE 周银平 2022-01-06 — — WO disclosed
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