SCHEMBL6573376

SCHEMBL6573376

Nc1ccc(N(CCO)CCO)cc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
AHR P35869 5/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 0.39
DHFR P00374 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ESR2 Q92731 1/20 0.35
S1PR1 P21453 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
SCHEMBL6573254 0.89 KMT2A (0.45) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL6571525 0.87 KMT2A (0.50) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL6571136 0.84 DYRK1A (0.41) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL6571892 0.83 MAPT (0.37) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL6572769 0.82 KMT2A (0.43) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL6571876 0.82 CYP3A4 (0.40) KMT2ALMNAMEN1AHRDHFR
SCHEMBL6574636 0.82 KMT2A (0.42) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL6572200 0.82 USP7 (0.40) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL6571939 0.82 STK4 (0.45) KMT2ALMNATP53ATMSMN1; SMN2
SCHEMBL6571049 0.81 KMT2A (0.35) KMT2ALMNATP53ATMSMN1; SMN2

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