SCHEMBL28497720

SCHEMBL28497720

Cc1cc2ccccc2n1-c1ccc(C(=O)N2CCN(C(=O)C3(OC(N)=O)CC3)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CPS1 P31327 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ FASN P49327 1/20 0.37
▸ HTT P42858 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ USP2 O75604 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
SCHEMBL16150924 0.86 RXFP1 (0.44) CPS1MAPTRXFP1FASNHTT
SCHEMBL17389928 0.85 FASN (0.49) CPS1MAPTRXFP1FASNHTT
SCHEMBL16149873 0.81 RXFP1 (0.40) CPS1MAPTRXFP1FASNHTT
SCHEMBL22926299 0.79 MAPT (0.41) CPS1MAPTRXFP1FASNHTT
Hydrochloric Acid SCHEMBL17389942 0.79 RXFP1 (0.43) CPS1MAPTRXFP1
SCHEMBL16150156 0.78 MAPT (0.36) CPS1MAPTRXFP1FASNHTT
SCHEMBL23641648 0.76 RXFP1 (0.45) MAPTRXFP1FASNTP53CA1
SCHEMBL17404611 0.74 FASN (0.49) MAPTRXFP1FASNHTTTSHR
SCHEMBL16150679 0.72 FASN (0.64) MAPTRXFP1FASNHTTKDM4E
SCHEMBL16151197 0.68 MAPT (0.49) MAPTRXFP1FASNHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521369-A Compounds and compositions for inhibition of FASN 福马治疗股份有限公司 2021-03-19 — — CN disclosed
CN-105492008-B Compounds and compositions for inhibition of FASN 福马治疗股份有限公司 2020-11-27 — — CN disclosed
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