SCHEMBL11599532

SCHEMBL11599532

CN(C)c1ccc(C2(c3c(-c4ccccc4)[nH]c4ccccc34)OC(=O)c3ccccc32)cc1.Cc1c(C2(c3c(C)n(C)c4ccccc34)OC(=O)c3ccc(N(C)C)cc32)c2ccccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
CXCR1 P25024 1/20 0.32
AVPR2 P30518 1/20 0.32
CCR4 P51679 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 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
SCHEMBL9679707 0.91 ALDH1A1 (0.42) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL25397354 0.89 HPGD (0.43) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL395389 0.85 TDP1 (0.49) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL29411197 0.85 TDP1 (0.49) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL395450 0.84 TDP1 (0.50) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL29385861 0.84 TDP1 (0.50) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL30387132 0.83 HPGD (0.43) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL1098701 0.83 HPGD (0.43) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL29411207 0.82 HPGD (0.43) TDP1ALDH1A1CYP3A4HSD17B10HPGD
SCHEMBL1345090 0.82 HPGD (0.43) TDP1ALDH1A1CYP3A4HSD17B10HPGD

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-4087284-A Color-developer coating for use in copy systems CHAMPION INTERNATIONAL CORPORATION (US) 1978-05-02 US disclosed