SCHEMBL4656587

SCHEMBL4656587

CC[N+](C)=C1C=CC(=C(c2ccc(N(C)C)cc2)c2cccnc2)C=C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
HTT P42858 4/20 0.57
THRB P10828 3/20 0.57
MAPK1 P28482 3/20 0.57
HIF1A Q16665 3/20 0.57
MAPT P10636 3/20 0.57
TP53 P04637 2/20 0.57
CYP3A4 P08684 2/20 0.57
ALOX12 P18054 2/20 0.57
RECQL P46063 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
BLM P54132 2/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.57
EGFR P00533 1/20 0.57
F2 P00734 1/20 0.57
GBA1 P04062 1/20 0.57

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
SCHEMBL4655651 0.89 KMT2A (0.74) TDP1MEN1KMT2AHTTTHRB
Perchlorate SCHEMBL4655673 0.84 KMT2A (0.67) TDP1MEN1KMT2AHTTTHRB
Hydrochloric Acid SCHEMBL5452767 0.79 TDP1 (0.61) TDP1MEN1KMT2AHTTTHRB
Brilliant Green SCHEMBL28216 0.74 TDP1 (0.88) TDP1MEN1KMT2AHTTTHRB
Hexamethyl Pararosaniline SCHEMBL9171 0.74 TDP1 (1.00) TDP1MEN1KMT2AHTTTHRB
SCHEMBL4655638 0.73 MAPT (0.85) TDP1MEN1KMT2AHTTTHRB
Brilliant Green SCHEMBL171205 0.73 TDP1 (0.84) TDP1MEN1KMT2AHTTTHRB
Hexamethyl Pararosaniline SCHEMBL94116 0.72 TDP1 (0.96) TDP1MEN1KMT2AHTTTHRB
SCHEMBL15648041 0.71 RAB9A (0.66) MEN1KMT2AHTTMAPTAPP
Perchlorate SCHEMBL4655875 0.69 MAPT (0.76) TDP1MEN1KMT2AHTTTHRB

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
EP-1435227-B1 Composition for the dyeing of keratinous fibres comprising a direct dye of the monoheteroyldiarylmethane type or a leuco precursor thereof and a dyeing process using it OREAL (FR) 2008-12-03 EP claimed