SCHEMBL25835528

SCHEMBL25835528

C=CCNc1nc(-c2ccc(N3CCCC3=O)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.47
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
PKM P14618 2/20 0.45
TP53 P04637 1/20 0.42

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
SCHEMBL38249 0.80 CNR2 (0.48) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL38629 0.73 MAPT (0.74) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31009701 0.70 SYK (0.44) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29314089 0.69 SYK (0.43) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL31009965 0.69 SYK (0.43) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31009973 0.69 KDM4E (0.39) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31009714 0.68 SYK (0.42) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8605585 0.66 ALDH1A1 (0.53) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL11142367 0.66 ALDH1A1 (0.74) NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL31296338 0.66 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-2023120452-A1 SREBP-1 INHIBITOR AND PHARMACEUTICAL COMPOSITION FOR TREATING HYPERTRIGLYCERIDEMIA 国立大学法人筑波大学 2023-06-29 WO disclosed