SCHEMBL6572347

SCHEMBL6572347

Nc1ccc(-c2cc(NCCO)ccc2N)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
MMP14 P50281 1/20 0.32
BLM P54132 1/20 0.32
CASP6 P55212 1/20 0.32
KMT2A Q03164 1/20 0.32
APP P05067 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
ABL1 P00519 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL6570757 0.92 FCGR3B (0.39) FCGR3BFCGR1AFCGR2AALDH1A1POLB
SCHEMBL6573143 0.89 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AALDH1A1POLB
SCHEMBL6572327 0.85 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2AALDH1A1POLB
SCHEMBL6572293 0.85 PDE10A (0.36) FCGR3BFCGR1AFCGR2AALDH1A1POLB
SCHEMBL6573528 0.85 FCGR3B (0.35) FCGR3BFCGR1AFCGR2AALDH1A1POLB
SCHEMBL6572728 0.84 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AALDH1A1POLB
SCHEMBL6571844 0.84 ALDH1A1 (0.43) ALDH1A1POLBMEN1MMP14BLM
SCHEMBL6572467 0.81 ALDH1A1 (0.37) ALDH1A1POLBMEN1MMP14BLM
SCHEMBL6571382 0.81 PTGER4 (0.38) ALDH1A1POLBMEN1KMT2ACYP2C19
SCHEMBL6572457 0.80 ALOX5 (0.36) ALDH1A1POLBMEN1MMP14BLM

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