SCHEMBL6572303

SCHEMBL6572303

COc1ccc(Cl)cc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC9A1 P19634 1/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
AHR P35869 1/20 0.37
HPGD P15428 2/20 0.37
AGPAT2 O15120 7/20 0.37

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
SCHEMBL6574104 0.88 LMNA (0.45) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL6572855 0.86 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6571857 0.85 GAA (0.40) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL6572267 0.83 HTR7 (0.41) KMT2AMEN1ALDH1A1NPSR1GAA
SCHEMBL6572034 0.82 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1ALDH1A1KDM4E
SCHEMBL6570985 0.81 HDAC4 (0.37)
SCHEMBL6572570 0.80 KMT2A (0.47) LMNAKMT2AMEN1ALDH1A1NPSR1
SCHEMBL6571136 0.79 DYRK1A (0.41) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL6571525 0.78 KMT2A (0.50) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL6572964 0.78 MAPT (0.35) LMNAKMT2AMEN1L3MBTL1ALDH1A1

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