SCHEMBL6573143

SCHEMBL6573143

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.36
FCGR1A P12314 1/20 0.36
FCGR2A P12318 1/20 0.36
KLKB1 P03952 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 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
GAA P10253 2/20 0.31
MAPT P10636 3/20 0.31
CYP3A4 P08684 1/20 0.31
ESR2 Q92731 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTPN1 P18031 1/20 0.31
CA1 P00915 2/20 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
SCHEMBL6570757 0.91 FCGR3B (0.39) FCGR3BFCGR1AFCGR2AALDH1A1TSHR
SCHEMBL6572293 0.90 PDE10A (0.36) FCGR3BFCGR1AFCGR2AKLKB1ALDH1A1
SCHEMBL6572347 0.89 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AALDH1A1TSHR
SCHEMBL6572457 0.88 ALOX5 (0.36) ALDH1A1MEN1POLBMMP14BLM
SCHEMBL6572327 0.87 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572432 0.85 BRD4 (0.38) ALDH1A1TSHRMEN1POLBMMP14
SCHEMBL6573528 0.84 FCGR3B (0.35) FCGR3BFCGR1AFCGR2AALDH1A1TSHR
SCHEMBL6571383 0.83 PTGER4 (0.39) KLKB1ALDH1A1TSHRCASP1GAA
SCHEMBL6572467 0.83 ALDH1A1 (0.37) ALDH1A1MEN1POLBMMP14BLM
SCHEMBL6572728 0.83 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AALDH1A1MEN1

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