SCHEMBL6572323

SCHEMBL6572323

COCCN(CCOC)c1ccc(N)c(-c2ccc(OC)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
MAPT P10636 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADK P55263 1/20 0.36
RELA Q04206 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL6571429 0.89 ALDH1A1 (0.36) ALOX15TDP1MAPTRELACYP3A4
SCHEMBL6571991 0.88 MAPT (0.40) TDP1MAPTALDH1A1KMT2A
SCHEMBL6570799 0.87 GRM2 (0.38) RELAALDH1A1HDAC2
SCHEMBL6570859 0.87 S100B (0.37) ALOX15TDP1MAPTADKCYP3A4
SCHEMBL6570967 0.87 RELA (0.38) ABL1ABCB1BCRMAPTADORA3
SCHEMBL6572008 0.87 MAPT (0.35) ALOX15TDP1MAPTADKCYP3A4
SCHEMBL6574728 0.86 KMT2A (0.41) ADKCYP3A4KMT2ACRHR1
SCHEMBL6571056 0.86 MGAM (0.36) ABL1ABCB1BCRRELAKMT2A
SCHEMBL6571984 0.86 S100B (0.36) TDP1MAPTADKCYP3A4CYP1A2
SCHEMBL6572478 0.86 S100B (0.33) TDP1CYP3A4ALDH1A1

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 5 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
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US 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