SCHEMBL31497397

SCHEMBL31497397

c1cc2cc3c(cc2[nH]1)CCCN3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
GPR84 Q9NQS5 1/20 0.40
AHR P35869 3/20 0.39
CMA1 P23946 1/20 0.39
TYR P14679 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6186961 0.89 DRD2 (0.43) CA1CA2KDM4EGPR84AHR
SCHEMBL24086184 0.77 GPR84 (0.48) CA1CA2KDM4EGPR84AHR
SCHEMBL5912311 0.75 CYP2D6 (0.40) GPR84AHRCMA1TYRCSNK2A1
SCHEMBL1437934 0.74 ALDH1A1 (0.49) CA12CA1CA2CA9KDM4E
Indole SCHEMBL1932756 0.73 CA1 (0.55) CA12CA1CA2CA9KDM4E
SCHEMBL608013 0.69 AR (0.53) CA12CA1CA2CA9KDM4E
SCHEMBL15290389 0.69 MAPT (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL9703662 0.68 AR (0.52) CA12CA1CA2CA9KDM4E
SCHEMBL6308105 0.68 MAPT (0.52) CA12CA1CA2CA9KDM4E
SCHEMBL20916098 0.68 CA12 (0.43) CA12CA1CA2CA9KDM4E

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-119490487-A Polysubstituted tetrahydrocarbazole compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-02-21 CN disclosed