SCHEMBL6571406

SCHEMBL6571406

CN(C)c1ccc(-c2cc(NCCO)ccc2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.40
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 1/20 0.37
APP P05067 1/20 0.37
NOS1 P29475 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
LMNA P02545 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
SCHEMBL6571410 0.85 ALDH1A1 (0.46) ALDH1A1MAPTSMN1; SMN2APPNOS1
SCHEMBL6572249 0.84 MAPT (0.44) ALDH1A1MAPTGAAKMT2ACYP3A4
SCHEMBL6572728 0.83 FCGR3B (0.38) ALDH1A1MAPTKMT2AAPPCYP3A4
SCHEMBL6572942 0.82 APP (0.41) ALDH1A1MAPTGAAKMT2AAPP
SCHEMBL6572130 0.81 SYK (0.38) ADRA2AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL6572071 0.81 NPC1 (0.39) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL6574394 0.80 MAPT (0.40) ADRA2AALDH1A1MAPTGAASMN1; SMN2
SCHEMBL6572585 0.80 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2KMT2AMAPK1
SCHEMBL6572389 0.80 GAA (0.49) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL4176103 0.79 ADRA2A (0.47) ADRA2AALDH1A1MAPTGAASMN1; 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