SCHEMBL7205617

SCHEMBL7205617

COc1c(N)ccc(-c2ccccc2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
PDE4B Q07343 6/20 0.41
PDE4A P27815 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
FYN P06241 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL27784155 0.86 ALOX5AP (0.49) ALOX5APFEN1ALDH1A1HSD17B10MAPT
SCHEMBL16738874 0.85 ALOX5AP (0.48) ALOX5APFEN1ALDH1A1HSD17B10MAPT
SCHEMBL24521850 0.83 ALOX5AP (0.43) ALOX5APFEN1ALDH1A1HSD17B10MAPT
SCHEMBL8898516 0.83 NPC1 (0.45) ALOX5APFEN1ALDH1A1PDE4BPDE4A
SCHEMBL9003875 0.81 TDO2 (0.50) ALDH1A1HSD17B10MAPTFYNKDM4E
SCHEMBL27833081 0.79 PDE4B (0.44) ALOX5APFEN1ALDH1A1HSD17B10MAPT
Tannin Pyrogallol SCHEMBL7671493 0.79 HSD17B10 (0.50) ALOX5APFEN1ALDH1A1HSD17B10MAPT
SCHEMBL3791228 0.78 ALDH1A1 (0.56) ALOX5APFEN1ALDH1A1HSD17B10MAPT
SCHEMBL7510969 0.78 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1HSD17B10MAPT
SCHEMBL7510960 0.78 ALOX5AP (0.40) ALOX5APFEN1ALDH1A1HSD17B10MAPT

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
EP-1355619-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES Wella Aktiengesellschaft (DE) 2003-10-29 EP disclosed
WO-2002062307-A1 COLOURING AGENTS FOR KERATIN FIBRES CONTAINING (1.1'-BIPHENYL)-2.4-DIAMINE DERIVATIVES IN ADDITION TO NOVEL (1.1'-BIPHENYL)-2.4-DIAMINE-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2002-08-15 WO disclosed