SCHEMBL5845975

SCHEMBL5845975

Cc1cccc(-c2ccccc2Nc2ccc(-c3ccc(N(c4ccc(Br)cc4)c4cccc(C)c4)cc3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
ENPP3 O14638 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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 0.91 NPSR1 (0.41) HSD17B1HSD17B2MAPTKMT2ANPSR1
SCHEMBL1305781 0.89 NPSR1 (0.38) HSD17B1HSD17B2MAPTKMT2ANPSR1
SCHEMBL5844796 0.89 MAPT (0.42) MAPTTP53KMT2ANPSR1MEN1
SCHEMBL1492925 0.88 NPSR1 (0.41) MAPTKMT2ANPSR1MEN1MAPK13
SCHEMBL7865722 0.87 MAPT (0.44) MAPTTP53KMT2ANPSR1MEN1
SCHEMBL5845995 0.86 HSD17B1 (0.36) HSD17B1HSD17B2MAPTTP53NPSR1
SCHEMBL130522 0.83 NPSR1 (0.46) MAPTKMT2ANPSR1MEN1ENPP3
SCHEMBL5202759 0.82 NPSR1 (0.41) HSD17B1HSD17B2MAPTNPSR1ENPP3
SCHEMBL24705722 0.81 HSD17B1 (0.39) HSD17B1HSD17B2KMT2ANPSR1MEN1
SCHEMBL19022543 0.80 MEN1 (0.38) MAPTTP53KMT2AMEN1CYP1A2

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