SCHEMBL4859207

SCHEMBL4859207

CN(C)c1ccc2c(c1)-c1cc(N(C)C)ccc1C2c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 4/20 0.38
PDGFRB P09619 2/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL6282600 0.89 ALDH1A1 (0.44) ALDH1A1TSHRPDGFRBMAPK1HSD17B10
SCHEMBL9803812 0.84 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL9803313 0.82 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL9803569 0.81 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL11595157 0.81 KIF11 (0.40) ALDH1A1TSHRPDGFRBCHEK1AURKA
SCHEMBL9626207 0.81 NPSR1 (0.51) ALDH1A1TSHRPDGFRBCHEK1AURKA
SCHEMBL10529168 0.81 MAPK1 (0.44) ALDH1A1TSHRPDGFRBCHEK1AURKA
SCHEMBL9803512 0.80 KMT2A (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL9803590 0.80 ALDH1A1 (0.37) ALDH1A1TSHRPSMB5MAPK1HSD17B10
SCHEMBL9803217 0.80 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1HSD17B10TDP1

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 4 patents. 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 claimed
EP-0232907-B1 HEAT-SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-03-27 EP disclosed
US-4761396-A BASIC PHTHALIDE DYE REACTS WITH FLUORENE DERIVATIVE AND P-PHENYLENEDIAMINE DERIVATIVE KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-08-02 US disclosed
EP-0232907-A2 Heat-sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1987-08-19 EP disclosed