SCHEMBL9638552

SCHEMBL9638552

Nc1c(O)[c]c2ccccc2c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.35
EP300 Q09472 2/20 0.35
HDAC3 O15379 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
GLA P06280 2/20 0.32
HPGD P15428 2/20 0.32
ACHE P22303 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
NQO2 P16083 1/20 0.32

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
SCHEMBL2255389 0.79 ALDH1A1 (0.44) IDO1EP300HDAC3KAT2BKAT8
SCHEMBL7305091 0.77 ALDH1A1 (0.34) KDM4EALDH1A1GLAHPGDACHE
SCHEMBL1396389 0.75 IDO1 (0.38) IDO1EP300HDAC3KAT2BKAT8
SCHEMBL9638555 0.72 IDO1 (0.34) IDO1EP300HDAC3KAT2BKAT8
SCHEMBL3434527 0.70 CA12 (0.39) IDO1KDM4EALDH1A1GLAHPGD
SCHEMBL4802412 0.70 CYP1A2 (0.35) IDO1KDM4EALDH1A1HPGDCASP1
SCHEMBL4574784 0.69 IDO1 (0.41) IDO1EP300HDAC3KAT2BKAT8
SCHEMBL11805466 0.69 AURKA (0.37) ALDH1A1HPGDSMN1; SMN2TDP1CYP1A2
SCHEMBL9862630 0.65 MAPT (0.42) KDM4EALDH1A1ACHESMN1; SMN2HSD17B10
SCHEMBL6630646 0.64 CYP2D6 (0.45) KDM4ESMN1; SMN2TDP1CYP1A2TSHR

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
US-5108502-A Azo dyes; water solubility; utility in inks for ink-jet printing HEWLETT-PACKARD COMPANY (US) 1992-04-28 US claimed