SCHEMBL6574499

SCHEMBL6574499

Nc1cc(N)c(CCO)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAP4K4 O95819 6/20 0.35
AHR P35869 1/20 0.34
TDO2 P48775 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
USP7 Q93009 1/20 0.34
MAOB P27338 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL6572205 0.82
SCHEMBL6572958 0.78 PLA2G7 (0.45) ALDH1A1TSHRSMN1; SMN2TDP1MAP4K4
SCHEMBL18421930 0.75 KDM4E (0.31) ALDH1A1TDP1MAPTKDM4EMEN1
SCHEMBL4053905 0.72 ALDH1A1 (0.38) ALDH1A1NPSR1CYP3A4ALOX15TSHR
SCHEMBL7808596 0.70 KCNH2 (0.42) ALDH1A1TSHRSMN1; SMN2TDO2MAPT
SCHEMBL6011512 0.69 ALDH1A1 (0.42) ALDH1A1CYP3A4ALOX15TSHRSMN1; SMN2
SCHEMBL1578020 0.69 TSHR (0.44) ALDH1A1CYP3A4ALOX15TSHRSMN1; SMN2
SCHEMBL8090563 0.68 ALOX15 (0.31) ALOX15
SCHEMBL23831996 0.67 CYP3A4 (0.37) ALDH1A1NPSR1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL6011448 0.67 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX15TSHRSMN1; 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 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
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
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