SCHEMBL6572773

SCHEMBL6572773

Nc1ccc(NCC(O)CO)c(-c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
GLA P06280 1/20 0.38
CTSD P07339 1/20 0.37
ALOX15 P16050 2/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KAT2B Q92831 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL6572476 0.83 ALDH1A1 (0.47) MAPTALDH1A1TDP1ALOX15MAPK1
SCHEMBL6570912 0.81 ALDH1A1 (0.36) ALDH1A1TDP1MAPK1HSD17B10L3MBTL1
SCHEMBL6572908 0.80 NPC1 (0.35) MAPTALDH1A1TDP1ALOX15MAPK1
SCHEMBL6571132 0.80 ALDH1A1 (0.43) MAPTALDH1A1GLAMAPK1L3MBTL1
SCHEMBL6574137 0.79 ALOX5AP (0.36) MAPTALDH1A1TDP1MAPK1L3MBTL1
SCHEMBL6574529 0.79 PLA2G7 (0.46) MAPTALDH1A1TDP1ALOX15MAPK1
SCHEMBL6571001 0.79 LMNA (0.41) MAPTTDP1MAPK1MEN1KMT2A
SCHEMBL6572484 0.79 FNTA (0.41) ALDH1A1TDP1MAPK1CYP3A4TSHR
SCHEMBL6571569 0.79 NPC1 (0.35) ALDH1A1TDP1MAPK1CYP3A4TSHR
SCHEMBL6571998 0.79 LCK (0.34) ALDH1A1TDP1GLAMAPK1CYP3A4

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