SCHEMBL13485160

SCHEMBL13485160

CN(C)c1ccc(N=Nc2ccc(N)cc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.47
▸ MAPK1 P28482 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPC1 O15118 8/20 0.46
▸ KMT2A Q03164 8/20 0.46
▸ RAB9A P51151 7/20 0.46
▸ MEN1 O00255 7/20 0.46
▸ ALPL P05186 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ POLB P06746 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CASP3 P42574 2/20 0.44

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
SCHEMBL13485176 1.00 TDP1 (0.47) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL9308341 0.87 MAPK1 (0.53) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL9308336 0.87 MAPK1 (0.53) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL9308347 0.87 MAPK1 (0.53) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL11650083 0.85 MAPT (0.56) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL11650087 0.85 MAPT (0.56) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL12307313 0.83 NPC1 (0.57) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL15682381 0.83 NPC1 (0.57) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL18407153 0.81 EGFR (0.49) TDP1MAPK1ALDH1A1TSHRHSD17B10
SCHEMBL269293 0.79 ALDH1A1 (0.73) TDP1MAPK1ALDH1A1TSHRHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100031453-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A CATIONIC DIAZO DIRECT DYE CONTAINING A 2-IMIDAZOLIUM UNIT L'OREAL S.A. (FR) 2010-02-11 — — US disclosed
US-20100031453-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A CATIONIC DIAZO DIRECT DYE CONTAINING A 2-IMIDAZOLIUM UNIT L'OREAL S.A. (FR) 2010-02-11 — — US disclosed
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