SCHEMBL10824906

SCHEMBL10824906

N#Cc1cc2ccccc2cc1C#N.O=C1OC(=O)c2cc3ccccc3cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
USP8 P40818 1/20 0.47
USP7 Q93009 1/20 0.47
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TYMS P04818 1/20 0.41
GAA P10253 1/20 0.41
GPR35 Q9HC97 1/20 0.40
MCL1 Q07820 1/20 0.39
TSHR P16473 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL103 0.83 ALOX15 (0.60) KDM4EALDH1A1ALOX15TDP1TYMS
SCHEMBL30083328 0.83 ALOX15 (0.60) KDM4EALDH1A1ALOX15TDP1TYMS
SCHEMBL28534584 0.81 CA1 (0.55) CA1CA2USP8USP7KDM4E
SCHEMBL29489128 0.81 CA1 (0.64) CA1CA2USP8USP7KDM4E
SCHEMBL149126 0.81 CA1 (0.64) CA1CA2USP8USP7KDM4E
SCHEMBL769280 0.79 ALOX15 (0.55) KDM4EALDH1A1ALOX15TDP1TYMS
SCHEMBL769641 0.77 CA1 (0.59) CA1CA2USP8USP7KDM4E
SCHEMBL9804790 0.77 CA1 (0.59) CA1CA2USP8USP7KDM4E
SCHEMBL31251446 0.77 CA1 (0.59) CA1CA2USP8USP7KDM4E
Anthracene SCHEMBL29110489 0.74 CA1 (0.56) CA1CA2USP8USP7KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61151193-A None JP disclosed
JP-S61151193-A TETRANAPHTHOPORPHYRAZINE DERIVATIVE MITSUBISHI CHEM IND LTD 1986-07-09 JP disclosed