SCHEMBL6570757

SCHEMBL6570757

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.39
FCGR1A P12314 1/20 0.39
FCGR2A P12318 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
BLM P54132 2/20 0.34
KMT2A Q03164 2/20 0.34
MMP14 P50281 1/20 0.34
CASP6 P55212 1/20 0.34
APP P05067 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ABL1 P00519 1/20 0.32
RPS6KA2 Q15349 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 2/20 0.31
KCNH3 Q9ULD8 1/20 0.31
APAF1 O14727 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
SCHEMBL6572293 0.92 PDE10A (0.36) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6573528 0.92 FCGR3B (0.35) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572347 0.92 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6573143 0.91 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572327 0.89 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572728 0.88 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6571844 0.85 ALDH1A1 (0.43) ALDH1A1MEN1POLBBLMKMT2A
SCHEMBL6572949 0.85 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AALDH1A1MEN1
SCHEMBL6572467 0.85 ALDH1A1 (0.37) ALDH1A1MEN1POLBBLMKMT2A
SCHEMBL6571323 0.83 ALDH1A1 (0.35) 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