SCHEMBL6654779

SCHEMBL6654779

COc1ccc2nc(C)[nH]c2c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
NQO2 P16083 2/20 0.44
CYP19A1 P11511 1/20 0.44
TERT O14746 1/20 0.43
AMY1A P0DUB6 3/20 0.42
TYMS P04818 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 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
SCHEMBL6656241 0.78 PDE3B (0.50) PDE3BPDE3ANQO2CYP19A1AMY1A
SCHEMBL7483023 0.77 MEN1 (0.53) PDE3BPDE3AAMY1ATYMSKDM4E
SCHEMBL24821720 0.77 MAPT (0.38) PDE3BPDE3ATERTTYMSKDM4E
SCHEMBL4611131 0.76 ALDH1A1 (0.46) PDE3BPDE3ANQO2AMY1AKDM4E
SCHEMBL13383928 0.76 ALDH1A1 (0.48) TYMSKDM4EHSD17B10LMNAALDH1A1
SCHEMBL6653652 0.76 NPC1 (0.51) PDE3BPDE3AAMY1AKDM4EHSD17B10
SCHEMBL6654449 0.73 PDE3B (0.43) PDE3BPDE3ATERTAMY1AMAPK1
SCHEMBL2272231 0.72 PDE4A (0.49) PDE3BPDE3ANQO2CYP19A1TYMS
SCHEMBL6654775 0.71 PDE3B (0.43) PDE3BPDE3ANQO2CYP19A1TERT
SCHEMBL620475 0.71 NQO2 (0.51) PDE3BPDE3ANQO2CYP19A1KDM4E

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-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed