SCHEMBL6570715

SCHEMBL6570715

Nc1ccc(NCC(O)CO)c(-c2ccccc2N(CCO)CCO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PABPC1 P11940 1/20 0.38
NQO1 P15559 1/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MAPK1 P28482 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
RECQL P46063 2/20 0.31
BLM P54132 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RAD52 P43351 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6570869 0.86 ALDH1A1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL6570795 0.84 ALDH1A1 (0.40) MEN1KMT2APABPC1NQO1ALDH1A1
SCHEMBL6570912 0.81 ALDH1A1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL6572523 0.81 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL6572908 0.80 NPC1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL6571015 0.80 ALDH1A1 (0.33) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL6571001 0.79 LMNA (0.41) MEN1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL6574529 0.79 PLA2G7 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL6574137 0.79 ALOX5AP (0.36) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL6571461 0.79 CHEK1 (0.41)

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