SCHEMBL9739130

SCHEMBL9739130

CN(C)CCNCc1nn2c3ccccc3c(=O)c3c(N)ccc1c32

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 12/20 0.46
▸ NQO1 P15559 8/20 0.46
▸ KAT2B Q92831 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ MITF O75030 1/20 0.34
▸ PARP1 P09874 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
SCHEMBL9024575 0.87 NQO2 (0.36) NQO2NQO1HPGD
SCHEMBL9024826 0.87 NQO2 (0.63) NQO2NQO1MITF
SCHEMBL9738372 0.85 NQO2 (0.46) NQO2NQO1KAT2BKDM4EALDH1A1
SCHEMBL9024667 0.84 NQO1 (0.39) NQO2NQO1KDM4EALDH1A1
SCHEMBL9739746 0.81 NQO2 (0.59) NQO2NQO1MITF
SCHEMBL9023717 0.80 L3MBTL1 (0.43) KDM4EALDH1A1HPGDHSD17B10PARP1
SCHEMBL9737559 0.78 NQO2 (0.54) NQO2NQO1MITF
SCHEMBL9023520 0.77 NQO2 (0.60) NQO2NQO1
SCHEMBL9023847 0.76 G6PD (0.39) NQO2NQO1HPGD
SCHEMBL9023722 0.76 TOP2A (0.38) NQO2NQO1HPGDPARP1

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-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 — — US disclosed
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