SCHEMBL6572059

SCHEMBL6572059

Nc1ccc(NCCO)c(-c2cc(NCCO)cc(NCCO)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.34
FCGR3B O75015 1/20 0.34
FCGR1A P12314 1/20 0.34
FCGR2A P12318 1/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
AURKB Q96GD4 1/20 0.32
KMT2A Q03164 1/20 0.32
TOP2B Q02880 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
RECQL P46063 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL6574122 0.90 HTR6 (0.37) PRSS1FCGR3BFCGR1AFCGR2ATSHR
SCHEMBL6571430 0.89 PRSS1 (0.37) PRSS1FCGR3BFCGR1AFCGR2ATSHR
SCHEMBL6571957 0.87 PRSS1 (0.38) PRSS1FCGR3BFCGR1AFCGR2ATSHR
SCHEMBL6572741 0.87 PDE3B (0.32)
SCHEMBL6570735 0.86 FCGR3B (0.34) FCGR3BFCGR1AFCGR2AJAK2JAK1
SCHEMBL6573241 0.84 ABCB1 (0.36) PRSS1FCGR3BFCGR1AFCGR2ATSHR
SCHEMBL6571157 0.84 TDO2 (0.38) PRSS1TSHRTDP1ALDH1A1
SCHEMBL6570922 0.84 PTGDR2 (0.44) TDP1ALDH1A1TYK2TOP2BPTGDR2
SCHEMBL6572949 0.84 FCGR3B (0.38) PRSS1FCGR3BFCGR1AFCGR2ATSHR
SCHEMBL6572152 0.83 JAK2 (0.34) PRSS1FCGR3BFCGR1AFCGR2ATSHR

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