SCHEMBL6574742

SCHEMBL6574742

Nc1ccc(N(CCO)CCO)c(-c2ccc(F)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.37
MAPK14 Q16539 1/20 0.37
PGR P06401 2/20 0.34
APP P05067 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP14 P50281 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDO2 P48775 1/20 0.33
PABPC1 P11940 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL6570840 0.90 ALDH1A1 (0.36) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL6571486 0.86 USP7 (0.40) APPMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6572058 0.85 TAAR1 (0.45) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL6574001 0.84 FYN (0.33) MEN1KMT2AALDH1A1PABPC1PTGDR2
SCHEMBL6572396 0.84 ALDH1A1 (0.36) APPMEN1KMT2ANPC1POLB
SCHEMBL6572686 0.84 ALDH1A1 (0.33) MEN1KMT2AALDH1A1PABPC1PTGDR2
SCHEMBL6571903 0.84 KMT2A (0.38) PGRAPPMEN1KMT2ALMNA
SCHEMBL6570740 0.84 ALDH1A1 (0.38) MEN1KMT2ALMNANPC1MAPT
SCHEMBL6571885 0.84 ALDH1A1 (0.34) MEN1KMT2AALDH1A1PABPC1PTGDR2
SCHEMBL6571387 0.84 KIF11 (0.46) APPMEN1KMT2APOLBMAPK1

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
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