SCHEMBL14268588

SCHEMBL14268588

CCN(CC)c1ccc2c(c1)C1=CC(=[N+](CC)CC)C=CC1=C2c1ccc(N(C)C)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ G6PD P11413 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SLC16A1 P53985 1/20 0.33
▸ MAPT P10636 1/20 0.31

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
SCHEMBL14268589 0.92 MEN1 (0.37) TDP1HDAC6HSP90AA1NSD2G6PD
SCHEMBL14268583 0.79 HSP90AA1 (0.45) TDP1HDAC6HSP90AA1NSD2G6PD
SCHEMBL14268574 0.78 THRB (0.39) TDP1HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL14268587 0.76 HSP90AA1 (0.38) TDP1HDAC6HSP90AA1NSD2G6PD
SCHEMBL30910314 0.74 HSP90AA1 (0.44) TDP1HDAC6HSP90AA1NSD2G6PD
SCHEMBL15177503 0.72 SMN1; SMN2 (0.39) TDP1HDAC6HSP90AA1NSD2G6PD
SCHEMBL15318100 0.70 MEN1 (0.31) TDP1HDAC6HSP90AA1NSD2G6PD
SCHEMBL14607774 0.69 THRB (0.35) TDP1HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL14268573 0.67 THRB (0.38) TDP1HDAC6TLR9SMN1; SMN2MEN1
SCHEMBL4857535 0.67 HSP90AA1 (0.50) TDP1HDAC6HSP90AA1NSD2G6PD

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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