SCHEMBL16751938

SCHEMBL16751938

O=C(Nc1ncc(Br)s1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.45
▸ FPR3 P25089 10/20 0.44
▸ FPR2 P25090 10/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GLS O94925 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ FBP1 P09467 1/20 0.41

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
SCHEMBL21516509 0.76 CDK2 (0.45) SMN1; SMN2GLSCCNE1CDK2CDK5
SCHEMBL1000186 0.75 FPR2 (0.44) FPR3FPR2SMN1; SMN2MAPK10CCNE1
SCHEMBL20270816 0.74 SMN1; SMN2 (0.58) FPR3FPR2SMN1; SMN2MAPK10CCNE1
SCHEMBL13390860 0.74 CCNE1 (0.66) FFAR2FPR3FPR2SMN1; SMN2MAPK10
SCHEMBL16751979 0.73 IDO1 (0.39) FPR3FPR2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL999552 0.70 FPR3 (0.41) FPR3FPR2SMN1; SMN2MAPK10CCNE1
SCHEMBL2646083 0.70 GCK (0.69) —
SCHEMBL2646223 0.70 GCK (0.69) —
SCHEMBL6729 0.70 CCNE1 (0.59) FFAR2SMN1; SMN2MAPK10MEN1ALDH1A1
SCHEMBL998766 0.69 FPR3 (0.42) FPR3FPR2SMN1; SMN2MAPK10CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 — — EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 — — EP disclosed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 — — EP disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 — — EP disclosed
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