SCHEMBL14159482

SCHEMBL14159482

CN(C)c1cccc(N=Nc2ccc(N=Nc3cc(N=Nc4ccccc4)c(N)cc3N)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 8/20 0.53
▸ TDP1 Q9NUW8 7/20 0.53
▸ TSHR P16473 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ KMT2A Q03164 9/20 0.51
▸ NPC1 O15118 8/20 0.51
▸ RAB9A P51151 8/20 0.51
▸ MEN1 O00255 8/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ SENP8 Q96LD8 2/20 0.49
▸ SENP7 Q9BQF6 2/20 0.49
▸ SENP6 Q9GZR1 2/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46

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
SCHEMBL8948318 0.92 TDP1 (0.48) MAPK1TDP1TSHRALDH1A1HSD17B10
SCHEMBL8948433 0.92 KMT2A (0.54) MAPK1TDP1TSHRALDH1A1HSD17B10
SCHEMBL4411410 0.84 ALDH1A1 (0.67) MAPK1TDP1TSHRALDH1A1HSD17B10
SCHEMBL16217241 0.78 TDP1 (0.38) MAPK1TDP1TSHRALDH1A1HSD17B10
Formamide SCHEMBL28861985 0.78 ALDH1A1 (0.55) MAPK1TDP1TSHRALDH1A1HSD17B10
Formamide SCHEMBL28861984 0.78 ALDH1A1 (0.55) MAPK1TDP1TSHRALDH1A1HSD17B10
Dimethyl Yellow SCHEMBL6240921 0.73 ALDH1A1 (0.95) MAPK1TDP1TSHRALDH1A1HSD17B10
Methyl Yellow SCHEMBL6240923 0.73 ALDH1A1 (0.95) MAPK1TDP1TSHRALDH1A1HSD17B10
Azobenzene SCHEMBL18204483 0.73 ALDH1A1 (0.86) MAPK1TDP1TSHRALDH1A1HSD17B10
Azobenzene SCHEMBL18204482 0.73 ALDH1A1 (0.86) MAPK1TDP1TSHRALDH1A1HSD17B10

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-7381348-B2 Transformation polarization electromagnetic waves emission for liquid crystals and indicators IR GVON KHAN (RU) 2008-06-03 — — US disclosed
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