SCHEMBL6574185

SCHEMBL6574185

CNc1ccc(-c2cc(N)ccc2NCCO)c(NC)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.33
FCGR1A P12314 1/20 0.33
FCGR2A P12318 1/20 0.33
RPS6KA2 Q15349 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL6572072 0.92 FCGR3B (0.34) FCGR3BFCGR1AFCGR2ARPS6KA2ALDH1A1
SCHEMBL6570894 0.86 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2ARPS6KA2ALDH1A1
SCHEMBL6570680 0.82 AR (0.31)
SCHEMBL6572599 0.81 KMT2A (0.36) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6572949 0.81 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6574122 0.81 HTR6 (0.37) FCGR3BFCGR1AFCGR2AKDM4EGLA
SCHEMBL6572408 0.78 PDE10A (0.40) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6573252 0.78 PRSS1 (0.36) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL6570745 0.78 BRD4 (0.39) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E
SCHEMBL5373965 0.78 KDM4E (0.36) FCGR3BFCGR1AFCGR2AALDH1A1KDM4E

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