SCHEMBL31275168

SCHEMBL31275168

O=C(Oc1ccc(C(F)(F)F)cc1)c1cc[nH]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.47
▸ PRSS1 P07477 1/20 0.46
▸ ACR P10323 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TRPV1 Q8NER1 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL29111812 0.82 KMT2A (0.46) ALDH1A1HSD17B10MAPTTDP1
SCHEMBL28158002 0.82 PRSS1 (0.38) PRSS1ACRALDH1A1HSD17B10KDM4C
SCHEMBL31273808 0.80 HSD17B10 (0.52) ALDH1A1HSD17B10MAPTTDP1GAA
SCHEMBL28024794 0.79 MAPT (0.49) ALDH1A1HSD17B10MAPTL3MBTL1GAA
SCHEMBL10710630 0.79 LMNA (0.51) PRSS1ACRALDH1A1CES2CES1
SCHEMBL15300224 0.78 MAPT (0.47) PRSS1ACRALDH1A1HSD17B10MAPT
SCHEMBL30591798 0.78 SRD5A2 (0.51) GRM4CES2CES1
SCHEMBL28538780 0.76 ALDH1A1 (0.38) ALDH1A1MAPTTDP1L3MBTL1GAA
SCHEMBL28508119 0.76 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPTL3MBTL1GAA
SCHEMBL28639038 0.74 PRSS1 (0.71) KIF11PRSS1ACRTRPV1HSD17B10

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-2024246764-A1 NOVEL BENZAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-12-05 — — WO disclosed
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