SCHEMBL6573254

SCHEMBL6573254

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTGS2 P35354 5/20 0.41
PTGS1 P23219 3/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
EPHB4 P54760 3/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MMP14 P50281 1/20 0.37
RAB9A P51151 1/20 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
SCHEMBL6573376 0.89 KMT2A (0.44) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL6571525 0.87 KMT2A (0.50) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL6571313 0.83 FYN (0.38) KMT2APTGS2PTGS1MEN1EPHB4
SCHEMBL6572769 0.83 KMT2A (0.43) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL6574636 0.83 KMT2A (0.42) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL6571939 0.82 STK4 (0.45) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL6571892 0.81 MAPT (0.37) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL6572200 0.80 USP7 (0.40) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL6571136 0.80 DYRK1A (0.41) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL6572518 0.79 MAPT (0.38) KMT2ALMNASMN1; SMN2TP53ATM

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