SCHEMBL5752945

SCHEMBL5752945

COc1ccc(N)c(N2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 6/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPK1 P28482 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 3/20 0.45
CASP1 P29466 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
RCE1 Q9Y256 1/20 0.45
PLAU P00749 1/20 0.45
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
CASP6 P55212 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2266765 0.98 CASP3 (0.44) ALDH1A1MAPTMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL6261576 0.97 CASP3 (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL5751466 0.85 HRH4 (0.51) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL2267531 0.84 CHRNB2 (0.47) ALDH1A1MAPTKDM4EHPGDCYP2C19
SCHEMBL2270412 0.84 GAA (0.47) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL14335172 0.83 ABCB1 (0.42) KDM4EHSD17B10RAB9ATSHRGAA
SCHEMBL5755839 0.81 ADORA2A (0.48) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL14383635 0.77 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL15831861 0.77 CNR2 (0.52) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL6973245 0.76 SMN1; SMN2 (0.44) ALDH1A1MAPTMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1336606-B1 6-Alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibers OREAL (FR) 2006-12-27 EP claimed
EP-1336606-A1 6-Alkoxy-2,3-diaminopyridine couplers for dying keratin fibers L'OREAL (FR) 2003-08-20 EP claimed
EP-1336606-B1 6-Alkoxy-2,3-diaminopyridine couplers for dyeing keratin fibers OREAL (FR) 2006-12-27 EP disclosed
EP-1336606-A1 6-Alkoxy-2,3-diaminopyridine couplers for dying keratin fibers L'OREAL (FR) 2003-08-20 EP disclosed