SCHEMBL6572949

SCHEMBL6572949

Nc1ccc(NCCO)c(-c2cc(NCCO)ccc2NCCO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.38
FCGR1A P12314 1/20 0.38
FCGR2A P12318 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
CASP6 P55212 2/20 0.33
MMP14 P50281 1/20 0.33
BLM P54132 1/20 0.33
PRSS1 P07477 2/20 0.33
TOP2B Q02880 1/20 0.33
ABCB11 O95342 1/20 0.32
RAB9A P51151 1/20 0.32
RECQL P46063 2/20 0.32
APP P05067 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL6573528 0.94 FCGR3B (0.35) FCGR3BFCGR1AFCGR2AALDH1A1TDP1
SCHEMBL6570894 0.92 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2AALDH1A1TDP1
SCHEMBL6570831 0.88 FCGR3B (0.32) FCGR3BFCGR1AFCGR2A
SCHEMBL6572072 0.86 FCGR3B (0.34) FCGR3BFCGR1AFCGR2AALDH1A1TDP1
SCHEMBL6573315 0.85 KMT2A (0.37) FCGR3BFCGR1AFCGR2AALDH1A1TDP1
SCHEMBL6570757 0.85 FCGR3B (0.39) FCGR3BFCGR1AFCGR2AALDH1A1TDP1
SCHEMBL6572059 0.84 PRSS1 (0.34) FCGR3BFCGR1AFCGR2AALDH1A1TDP1
SCHEMBL6573252 0.83 PRSS1 (0.36) FCGR3BFCGR1AFCGR2AALDH1A1TDP1
SCHEMBL6572408 0.83 PDE10A (0.40) FCGR3BFCGR1AFCGR2AALDH1A1TDP1
SCHEMBL6572599 0.83 KMT2A (0.36) FCGR3BFCGR1AFCGR2AALDH1A1TDP1

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