SCHEMBL5844796

SCHEMBL5844796

Cc1cccc(-c2ccccc2Nc2ccc(-c3ccc(Br)cc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
ENPP3 O14638 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
PTGER4 P35408 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
SCHEMBL7865722 0.97 MAPT (0.44) MAPTTP53MEN1KMT2ANPSR1
SCHEMBL130522 0.93 NPSR1 (0.46) MAPTMEN1KMT2ANPSR1ENPP3
SCHEMBL1505781 0.90 NPSR1 (0.43) MAPTMEN1KMT2ANPSR1ENPP3
SCHEMBL5845975 0.89 HSD17B1 (0.38) MAPTTP53MEN1KMT2ANPSR1
SCHEMBL17246941 0.85 NPSR1 (0.56) MAPTTP53MEN1KMT2ANPSR1
SCHEMBL6081498 0.84 NPSR1 (0.41) MAPTMEN1KMT2ANPSR1ENPP3
SCHEMBL332285 0.83 NPSR1 (0.44) MAPTTP53MEN1KMT2ANPSR1
SCHEMBL16694267 0.83 ALDH1A1 (0.46) MAPTTP53MEN1KMT2AALDH1A1
SCHEMBL77279 0.82 NPSR1 (0.41) MAPTMEN1KMT2ANPSR1ENPP3
SCHEMBL1492925 0.81 NPSR1 (0.41) MAPTMEN1KMT2ANPSR1ALDH1A1

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