SCHEMBL23846429

SCHEMBL23846429

CCOc1c(C)c(C(N)=O)cc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ BPTF Q12830 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ PARP10 Q53GL7 2/20 0.37
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PARP15 Q460N3 1/20 0.33

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
SCHEMBL3694279 0.76 DGAT1 (0.41) LMNAHTT
SCHEMBL8593509 0.76 TSHR (0.44) TSHRLMNAHTTSMN1; SMN2MEN1
SCHEMBL30526948 0.74 TSHR (0.44) TSHRLMNAHTTBPTFMAPK1
SCHEMBL27856987 0.73 DGAT1 (0.39) TSHRLMNAHTTSMN1; SMN2
SCHEMBL2486086 0.73 BPTF (0.49) TSHRLMNAHTTBPTFMAPK1
SCHEMBL6644694 0.72 MAPT (0.38) LMNAHTTMAPK1PARP10PARP15
SCHEMBL4514123 0.72 DGAT1 (0.41) TSHR
SCHEMBL3337229 0.71 ROCK2 (0.38) TSHRLMNAHTTPARP10MEN1
SCHEMBL4512580 0.71 DGAT1 (0.38) TSHRLMNAHTTSMN1; SMN2
SCHEMBL4753814 0.71 ALDH1A1 (0.39) TSHRLMNAHTTMAPK1MEN1

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-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 — — WO disclosed
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