SCHEMBL6570831

SCHEMBL6570831

Nc1ccc(NCC(O)CO)c(-c2cc(NCCO)ccc2NCCO)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.32
FCGR1A P12314 1/20 0.32
FCGR2A P12318 1/20 0.32
IDH2 P48735 3/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
AR P10275 1/20 0.30
VDR P11473 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
SCHEMBL6570662 0.94 FCGR3B (0.31) FCGR3BFCGR1AFCGR2AIDH2
SCHEMBL6572949 0.88 FCGR3B (0.38) FCGR3BFCGR1AFCGR2A
SCHEMBL6572741 0.86 PDE3B (0.32) IDH2PDE3BPDE3A
SCHEMBL6573224 0.84 TOP2B (0.36) FCGR3BFCGR1AFCGR2AIDH2AR
SCHEMBL6573528 0.82 FCGR3B (0.35) FCGR3BFCGR1AFCGR2A
SCHEMBL6573010 0.82 AR (0.32) ARVDR
SCHEMBL6570894 0.81 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2A
SCHEMBL6570818 0.81 AR (0.33) IDH2PDE3BPDE3AARVDR
SCHEMBL6572123 0.80 PDE10A (0.36) PDE3BPDE3AARVDR
SCHEMBL6571998 0.80 LCK (0.34) PDE3BPDE3AARVDR

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