SCHEMBL14268583

SCHEMBL14268583

CCN(CC)c1ccc(C2=C3C=CC(=[N+](CC)CC)C=C3c3cc(N(CC)CC)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.45
▸ NSD2 O96028 1/20 0.45
▸ G6PD P11413 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ TLR9 Q9NR96 1/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TERT O14746 1/20 0.30

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
SCHEMBL30910314 0.83 HSP90AA1 (0.44) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL14268587 0.82 HSP90AA1 (0.38) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL14268588 0.79 TDP1 (0.38) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL4857535 0.74 HSP90AA1 (0.50) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL12387272 0.74 TDP1 (0.41) TDP1HDAC6MEN1ALDH1A1MAPT
SCHEMBL15177510 0.71 TDP1 (0.40) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL15177507 0.70 TDP1 (0.38) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL14268589 0.70 MEN1 (0.37) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL13236217 0.70 HSP90AA1 (0.43) HSP90AA1NSD2G6PDCDK5CDK5R1
SCHEMBL13533507 0.70 HSP90AA1 (0.39) HSP90AA1NSD2G6PDCDK5CDK5R1

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-7329289-B2 Use of triarylmethane derivatives as direct dyes in a dye composition, composition and implementation process L'Oréal, S.A. (FR) 2008-02-12 — — US disclosed
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