SCHEMBL6572955

SCHEMBL6572955

Nc1ccc(NCCO)c(-c2cc(CCO)cc(N)c2CCO)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.33
FCGR1A P12314 1/20 0.33
FCGR2A P12318 1/20 0.33
PRSS1 P07477 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
SCHEMBL6570837 0.84
SCHEMBL6573533 0.82 KDM4E (0.31)
SCHEMBL6572067 0.82 FCGR3B (0.33) FCGR3BFCGR1AFCGR2A
SCHEMBL6573315 0.78 KMT2A (0.37) FCGR3BFCGR1AFCGR2APRSS1
SCHEMBL6573252 0.77 PRSS1 (0.36) FCGR3BFCGR1AFCGR2APRSS1
SCHEMBL6570905 0.76 FCGR3B (0.31) FCGR3BFCGR1AFCGR2A
SCHEMBL6572620 0.75 KMT2A (0.30) FCGR3BFCGR1AFCGR2A
SCHEMBL6574155 0.75 ALDH1A1 (0.41) FCGR3BFCGR1AFCGR2APRSS1
SCHEMBL6572599 0.74 KMT2A (0.36) FCGR3BFCGR1AFCGR2APRSS1
SCHEMBL6572408 0.74 PDE10A (0.40) FCGR3BFCGR1AFCGR2A

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 4 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
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