SCHEMBL6571145

SCHEMBL6571145

COCCNc1ccc(N)cc1-c1ccc(N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PTGER4 P35408 3/20 0.44
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.39
NCF1 P14598 2/20 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
SCHEMBL6572005 0.89 PTGER4 (0.50) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6570713 0.85 PTGER4 (0.47) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6571904 0.85 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP1A2CYP2C19MAPK1
SCHEMBL6572884 0.84 PTGER4 (0.46) ALDH1A1PTGER4MAPTHPGDKDM4E
SCHEMBL6573105 0.84 PTGER4 (0.49) ALDH1A1PTGER4MAPTHPGDLMNA
SCHEMBL6572731 0.84 PTGER4 (0.46) ALDH1A1CYP3A4MAPK1PTGER4MAPT
SCHEMBL6572960 0.83 PTGER4 (0.51) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6572456 0.83 PTGER4 (0.50) ALDH1A1CYP1A2CYP2C19MAPK1USP2
Hydrochloric Acid SCHEMBL6572054 0.82 PTGER4 (0.50) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL6570689 0.81 PTGER4 (0.48) ALDH1A1PTGER4MAPTLMNAKDM4E

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-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed