SCHEMBL28093059

SCHEMBL28093059

O=C(O)c1cc(-c2ccc(F)cc2)ns1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
ALPL P05186 1/20 0.49
RPA1 P27694 1/20 0.49
MAPK14 Q16539 1/20 0.46
BCL2L1 Q07817 1/20 0.44
BAD Q92934 1/20 0.44
DHODH Q02127 2/20 0.41
DAO P14920 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL6843818 0.84 TP53 (0.44) BCL2L1DHODHKDM4EMAPTNPC1
SCHEMBL6668534 0.83 ALAD (0.51) RXFP1
SCHEMBL6740513 0.83 ALAD (0.51) CA12ALPLKDM4EMAPTNPC1
SCHEMBL4553247 0.82 PPARD (0.44) MAPTADORA3MMP12
SCHEMBL15083062 0.81 MAPK14 (0.43) MAPK14DHODHKDM4EMAPTALDH1A1
SCHEMBL11000258 0.79 ALPL (0.52) ALPLKDM4EMAPTNPC1ALDH1A1
SCHEMBL12614552 0.78 ADORA3 (0.37) CA12ALPLRPA1MAPK14KDM4E
SCHEMBL12614775 0.77 ALDH1A1 (0.57) MAPK14KDM4EMAPTNPC1RXFP1
SCHEMBL15083064 0.75 HCAR2 (0.43) MAPK14
SCHEMBL8605221 0.73 PLK4 (0.43) DHODHNPC1RAB9AADORA3ADORA2A

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
CN-105979945-A Glucosylceramide synthase inhibitors 建新公司 2016-09-28 CN disclosed