SCHEMBL6570735

SCHEMBL6570735

Nc1ccc(N)c(-c2cc(NCCO)cc(NCCO)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.34
FCGR1A P12314 1/20 0.34
FCGR2A P12318 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
KDR P35968 1/20 0.31
JAK3 P52333 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL6572059 0.86 PRSS1 (0.34) FCGR3BFCGR1AFCGR2APTGDR2CYP2D6
SCHEMBL6570757 0.83 FCGR3B (0.39) FCGR3BFCGR1AFCGR2ACYP2D6CYP2C19
SCHEMBL6572728 0.82 FCGR3B (0.38) FCGR3BFCGR1AFCGR2ACYP2D6CYP2C19
SCHEMBL6571323 0.81 ALDH1A1 (0.35) FCGR3BFCGR1AFCGR2ACYP2D6CYP2C19
SCHEMBL6572327 0.77 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2AJAK2JAK1
SCHEMBL6572047 0.77 FCGR3B (0.40) FCGR3BFCGR1AFCGR2A
SCHEMBL6573528 0.77 FCGR3B (0.35) FCGR3BFCGR1AFCGR2A
SCHEMBL6572293 0.77 PDE10A (0.36) FCGR3BFCGR1AFCGR2ACYP2C19KDR
SCHEMBL6573315 0.77 KMT2A (0.37) FCGR3BFCGR1AFCGR2ACYP2D6CYP2C19
SCHEMBL6572741 0.77 PDE3B (0.32)

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