SCHEMBL25916900

SCHEMBL25916900

COC(=O)c1cccc(-c2csc(-n3nc(-c4ccccc4)cc3O)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
LDHA P00338 4/20 0.48
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
MAPT P10636 5/20 0.47
SIRT5 Q9NXA8 4/20 0.44
ALDH1A1 P00352 5/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PTGER1 P34995 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
GRM5 P41594 1/20 0.43

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
SCHEMBL25916891 0.93 RAB9A (0.55) RAB9ANPC1LDHAMAPTSIRT5
SCHEMBL25917116 0.86 RAB9A (0.48) RAB9ANPC1LDHAMAPTSIRT5
SCHEMBL25329191 0.84 RAB9A (0.59) RAB9ANPC1LDHAMAPTALDH1A1
SCHEMBL25328215 0.84 MAPT (0.54) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL25917257 0.83 SIRT5 (0.55) RAB9ANPC1MAPTSIRT5ALDH1A1
SCHEMBL25917200 0.83 SIRT5 (0.55) RAB9ANPC1LDHAMAPTSIRT5
SCHEMBL25917143 0.81 RAB9A (0.48) RAB9ANPC1LDHAMAPTALDH1A1
SCHEMBL25328345 0.78 MMP2 (0.54) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL25917129 0.77 KMT2A (0.53) RAB9ANPC1LDHAMAPTSIRT5
SCHEMBL17900244 0.76 LDHA (0.75) LDHAALDH1A1POLBKDM4EL3MBTL1

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-2023141262-A1 BAX ACTIVATORS AND USE THEREOF IPSEN PHARMA S.A.S. (FR) 2023-07-27 WO disclosed