SCHEMBL6572016

SCHEMBL6572016

COc1ccccc1-c1cc(NCC(O)CO)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 3/20 0.39
SLC2A1 P11166 1/20 0.38
CD274 Q9NZQ7 5/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
HTR7 P34969 1/20 0.36
PDCD1 Q15116 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TLR4 O00206 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
ALDH1A1 P00352 1/20 0.35
FGB P02675 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6571380 0.88 AGTR1 (0.39) AGTR1LMNACYP1A2MAPTSLC2A1
SCHEMBL6574224 0.86 ALDH1A1 (0.38) MAPTTLR4ALDH1A1SMN1; SMN2
SCHEMBL6571366 0.84 MAPT (0.38) LMNACYP1A2MAPTALDH1A1NPSR1
SCHEMBL6572139 0.83 ALDH1A1 (0.36) MAPTP2RX3P2RX2TDP1ALDH1A1
SCHEMBL6572239 0.82 MAPT (0.36) MAPTMEN1KMT2ATLR4TDP1
SCHEMBL6573246 0.82 GAA (0.43) LMNAMAPTHTR7MEN1KMT2A
SCHEMBL6572503 0.80 FNTA (0.42) MAPTTDP1CDK9ALDH1A1MAPK1
SCHEMBL6571874 0.80 MAPT (0.45) CYP1A2MAPTMEN1KMT2ATDP1
SCHEMBL6572184 0.79 IDH2 (0.33) MAPTCDK9ALDH1A1MAPK1
SCHEMBL6571368 0.79 MAPK1 (0.44) LMNAMAPTCD274MEN1KMT2A

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 4 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
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