SCHEMBL28804444

SCHEMBL28804444

Nc1ccc(-c2ccc(N)c(-c3cccc4ccccc34)c2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.47
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
DHFR P00374 1/20 0.41
KEAP1 Q14145 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL29865479 0.89 PRKCZ (0.53) PRKCZCA12CA1CA2CA9
SCHEMBL3989716 0.89 PRKCZ (0.53) PRKCZCA12CA1CA2CA9
SCHEMBL49882 0.85 PRKCZ (0.45) PRKCZCA12CA1CA2CA9
SCHEMBL2325679 0.85 PRKCZ (0.49) PRKCZCA12CA1CA2CA9
SCHEMBL27639818 0.84 PRKCZ (0.44) PRKCZCA12CA1CA2CA9
SCHEMBL29165714 0.84 DHFR (0.44) CA12CA1CA2CA9DHFR
SCHEMBL861649 0.83 PRKCZ (0.50) PRKCZCA12CA1CA2CA9
SCHEMBL2003924 0.81 PRKCZ (0.61) PRKCZCA12CA1CA2CA9
SCHEMBL29456916 0.81 PRKCZ (0.61) PRKCZCA12CA1CA2CA9
SCHEMBL2008772 0.79 CA12 (0.61) PRKCZCA12CA1CA2CA9

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-103187532-A Light-emitting element, light-emitting device, and electronic apparatus SEIKO EPSON CORP 2013-07-03 CN disclosed