SCHEMBL6571874

SCHEMBL6571874

COc1ccc(-c2cc(NCC(O)CO)ccc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
GAA P10253 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 3/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
AOC3 Q16853 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
C5AR1 P21730 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6571368 0.88 MAPK1 (0.44) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL6572113 0.85 MAPT (0.36) MAPTGAAALDH1A1MAPK1CDK2
SCHEMBL6571846 0.85 CYP1A2 (0.32) MAPK1CDK2CYP1A2AURKAAURKB
SCHEMBL6574986 0.84 BCHE (0.39) ALDH1A1MAPK1TDP1CDK2CYP1A2
SCHEMBL6574373 0.83 BCHE (0.40) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL6572503 0.82 FNTA (0.42) MAPTALDH1A1MAPK1HTTTDP1
SCHEMBL6572130 0.82 SYK (0.38) MAPTGAAALDH1A1KMT2AMAPK1
SCHEMBL6413099 0.82 MAPT (0.61) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL6572389 0.81 GAA (0.49) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL6571600 0.81 FNTA (0.32) MAPK1CDK2AURKAAURKBCDK8

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