SCHEMBL6573224

SCHEMBL6573224

Nc1ccc(NCC(O)CO)c(-c2c(NCCO)cccc2NCCO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.36
NSD2 O96028 1/20 0.35
FGB P02675 1/20 0.35
MMP14 P50281 1/20 0.35
BRD4 O60885 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6572615 0.88 NSD2 (0.42) TOP2BNSD2FGBMMP14BRD4
SCHEMBL6570862 0.86 LMNA (0.35) LMNAEGFRMAPTMAPK1SMN1; SMN2
SCHEMBL6571444 0.84 AR (0.34) LMNAARVDRIDH2
SCHEMBL6570831 0.84 FCGR3B (0.32) ARVDRFCGR3BFCGR1AFCGR2A
SCHEMBL6573275 0.83 AR (0.33) LMNAARVDRIDH2
SCHEMBL6570662 0.81 FCGR3B (0.31) ALDH1A1FCGR3BFCGR1AFCGR2AIDH2
SCHEMBL6571859 0.80 KDM4E (0.37) ALDH1A1MAPTIDH2
SCHEMBL6570745 0.80 BRD4 (0.39) TOP2BNSD2FGBMMP14BRD4
SCHEMBL6572741 0.80 PDE3B (0.32) IDH2
SCHEMBL6573393 0.79 AGTR1 (0.39) LMNAMEN1MAPTMAPK1KMT2A

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