SCHEMBL6573528

SCHEMBL6573528

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FCGR3B O75015 1/20 0.35
FCGR1A P12314 1/20 0.35
FCGR2A P12318 1/20 0.35
KMT2A Q03164 2/20 0.33
PRSS1 P07477 9/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
RAPGEF4 Q8WZA2 1/20 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
ABCB11 O95342 1/20 0.30
TNIK Q9UKE5 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
SCHEMBL6572949 0.94 FCGR3B (0.38) FCGR3BFCGR1AFCGR2AKMT2APRSS1
SCHEMBL6573315 0.92 KMT2A (0.37) FCGR3BFCGR1AFCGR2AKMT2APRSS1
SCHEMBL6570757 0.92 FCGR3B (0.39) FCGR3BFCGR1AFCGR2AKMT2AALDH1A1
SCHEMBL6572327 0.88 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2AKMT2AALDH1A1
SCHEMBL6570894 0.87 ALDH1A1 (0.36) FCGR3BFCGR1AFCGR2AKMT2APRSS1
SCHEMBL6573377 0.85 ALDH1A1 (0.38) FCGR3BFCGR1AFCGR2AKMT2APRSS1
SCHEMBL6572293 0.85 PDE10A (0.36) FCGR3BFCGR1AFCGR2AKMT2AALDH1A1
SCHEMBL6572347 0.85 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AKMT2AALDH1A1
SCHEMBL6573143 0.84 FCGR3B (0.36) FCGR3BFCGR1AFCGR2AKMT2AALDH1A1
SCHEMBL6570831 0.82 FCGR3B (0.32) 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 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