SCHEMBL6572327

SCHEMBL6572327

Nc1ccc(N)c(-c2ccc(NCCO)cc2NCCO)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
FCGR3B O75015 1/20 0.35
FCGR1A P12314 1/20 0.35
FCGR2A P12318 1/20 0.35
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
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MMP14 P50281 1/20 0.31
BLM P54132 1/20 0.31
CASP6 P55212 1/20 0.31
RPS6KA2 Q15349 1/20 0.31
LCK P06239 1/20 0.31
SRC P12931 1/20 0.31
PRKACA P17612 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
SCHEMBL6570894 0.90 ALDH1A1 (0.36) ALDH1A1FCGR3BFCGR1AFCGR2AKMT2A
SCHEMBL6570757 0.89 FCGR3B (0.39) ALDH1A1FCGR3BFCGR1AFCGR2AKMT2A
SCHEMBL6573528 0.88 FCGR3B (0.35) ALDH1A1FCGR3BFCGR1AFCGR2AKMT2A
SCHEMBL6573143 0.87 FCGR3B (0.36) ALDH1A1FCGR3BFCGR1AFCGR2AKMT2A
SCHEMBL6572293 0.85 PDE10A (0.36) ALDH1A1FCGR3BFCGR1AFCGR2AKDR
SCHEMBL6572347 0.85 FCGR3B (0.36) ALDH1A1FCGR3BFCGR1AFCGR2AKMT2A
SCHEMBL6573315 0.83 KMT2A (0.37) ALDH1A1FCGR3BFCGR1AFCGR2AKMT2A
SCHEMBL6572949 0.81 FCGR3B (0.38) ALDH1A1FCGR3BFCGR1AFCGR2AKMT2A
SCHEMBL6573377 0.79 ALDH1A1 (0.38) ALDH1A1FCGR3BFCGR1AFCGR2AKMT2A
SCHEMBL6570662 0.79 FCGR3B (0.31) ALDH1A1FCGR3BFCGR1AFCGR2A

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