SCHEMBL6572909

SCHEMBL6572909

Nc1ccc(N(CCO)CCO)cc1-c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
MMP14 P50281 1/20 0.37
RAB9A P51151 1/20 0.37
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 5/20 0.35
PABPC1 P11940 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL6570961 0.89 ALDH1A1 (0.43) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL6572669 0.88 KMT2A (0.36) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL6570665 0.85 KMT2A (0.40) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL6574219 0.85 KMT2A (0.38) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL6572082 0.84 MAPT (0.45) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL6574296 0.84 MAPT (0.52) MAPTKMT2AMEN1LMNASMN1; SMN2
SCHEMBL6571445 0.83 KMT2A (0.43) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL6573203 0.81 ALDH1A1 (0.34) MAPTKMT2AMEN1HTTTDP1
SCHEMBL6573432 0.81 KMT2A (0.38) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL6572612 0.81 BACE1 (0.40) MAPTKMT2AMEN1LMNASMN1; 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