SCHEMBL6571366

SCHEMBL6571366

Cc1ccccc1-c1cc(NCC(O)CO)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G7 Q13093 3/20 0.36
LMNA P02545 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPK14 Q16539 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
SCHEMBL6574224 0.89 ALDH1A1 (0.38) MAPTALDH1A1MAPK14
SCHEMBL6572239 0.85 MAPT (0.36) MAPTALDH1A1MAPK14
SCHEMBL6572016 0.84 AGTR1 (0.42) MAPTALDH1A1LMNACYP1A2NPSR1
SCHEMBL6572503 0.83 FNTA (0.42) MAPTALDH1A1
SCHEMBL6572184 0.82 IDH2 (0.33) MAPTALDH1A1EGLN2MAPK14
SCHEMBL3858519 0.82 ALDH1A1 (0.46) MAPTALDH1A1CYP1A2EGLN2
SCHEMBL6572113 0.81 MAPT (0.36) MAPTALDH1A1CYP1A2EGLN2
SCHEMBL6573074 0.81 ALDH1A1 (0.42) MAPTALDH1A1PLA2G7LMNASLC1A3
SCHEMBL6570891 0.81 ALDH1A1 (0.33) MAPTALDH1A1EGLN2MAPK14
Hydrochloric Acid SCHEMBL3857846 0.80 ALDH1A1 (0.45) MAPTALDH1A1CYP1A2EGLN2

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