SCHEMBL31451683

SCHEMBL31451683

Cc1c(N)cc(F)cc1-c1nc2ccc(Br)cc2s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 12/20 0.56
▸ ILK Q13418 3/20 0.51
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL31451494 0.85 APP (0.56) APPILKKDM4ENPC1GAA
SCHEMBL31451601 0.83 KDM4E (0.61) APPILKKDM4ENPC1GAA
SCHEMBL31451430 0.80 ALDH1A1 (0.37) APPILKNPC1MAPTRAB9A
SCHEMBL20533985 0.79 APP (0.57) APPILKKDM4ENPC1GAA
SCHEMBL31451616 0.77 GAA (0.47) APPILKKDM4ENPC1GAA
SCHEMBL31451689 0.73 ILK (0.52) ILKKDM4ENPC1GAAMAPT
SCHEMBL2461395 0.72 APP (1.00) APPKDM4ENPC1GAAMAPT
SCHEMBL4157441 0.72 APP (0.72) APPKDM4ENPC1GAAMAPT
SCHEMBL31530841 0.70 MAPT (0.67) APPILKKDM4ENPC1GAA
SCHEMBL13806261 0.69 APP (0.63) APPILKKDM4ENPC1GAA

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-2025054187-A1 TGR5 ANTAGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2025-03-13 — — WO disclosed
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