SCHEMBL5845995

SCHEMBL5845995

C=Cc1ccc(N(c2ccc(-c3ccc(Nc4ccccc4-c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ENPP3 O14638 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRM3 P20309 4/20 0.31
PTGER4 P35408 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL77279 0.88 NPSR1 (0.41) HSD17B1HSD17B2ENPP3MAPK13MAPK12
SCHEMBL7877481 0.88 TDP1 (0.44) TP53TDP1MAPKAPK2MAPK13MAPK12
SCHEMBL1305781 0.86 NPSR1 (0.38) HSD17B1HSD17B2TDP1MAPK13MAPK12
SCHEMBL5845975 0.86 HSD17B1 (0.38) HSD17B1HSD17B2TP53ENPP3MAPK13
SCHEMBL1492925 0.85 NPSR1 (0.41) TDP1MAPK13MAPK12MAPK11MAPK14
SCHEMBL12757056 0.81 TDP1 (0.47) HSD17B1HSD17B2TP53TDP1ALDH1A1
SCHEMBL766100 0.81 TDP1 (0.47) HSD17B1HSD17B2TP53TDP1ALDH1A1
SCHEMBL2602506 0.81 TDP1 (0.50) HSD17B1HSD17B2TP53TDP1MAPK14
SCHEMBL19668947 0.80 TDP1 (0.44) HSD17B1HSD17B2TP53TDP1ENPP3
SCHEMBL130522 0.80 NPSR1 (0.46) TDP1ENPP3MAPKAPK2MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101630-B2 Diarylamino group-containing copolymer, organic electroluminescent device, and method of producing hole transport layer for organic electroluminescent device KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2006-09-05 US disclosed
US-20050008893-A1 Diarylamino group-containing copolymer, organic electroluminescent device, and method of producing hole transport layer for organic electroluminescent device KAWAMURA INSTITUTE OF CHEMICAL RESEARCH (JP) 2005-01-13 US disclosed
US-20010017155-A1 Of monovinylated triarylamine monomers; use in light emitting diodes or as components of photorefractive materials CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-08-30 US disclosed