SCHEMBL4668038

SCHEMBL4668038

CNc1ccc(N(O)C(=O)O)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
APP P05067 2/20 0.42
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
APAF1 O14727 1/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL4667229 0.81 ALDH1A1 (0.40) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4668962 0.78 ALDH1A1 (0.39) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL4667302 0.78 ALDH1A1 (0.49) ALDH1A1APPMEN1KMT2ASMN1; SMN2
SCHEMBL2343153 0.73 CA12 (0.65) MEN1KMT2ARAB9AHTTLMNA
SCHEMBL14820365 0.70 PRKCI (0.59) ALDH1A1APPMEN1KMT2ACYP1A2
SCHEMBL2339935 0.70 MAPT (0.60) ALDH1A1APPGAAMEN1KMT2A
SCHEMBL1547457 0.70 ALDH1A1 (0.61) ALDH1A1APPGAANPC1RAB9A
SCHEMBL14433132 0.69 LRRK2 (0.56) APPKMT2ARAB9ASMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL28045236 0.69 ALDH1A1 (0.59) ALDH1A1APPGAAMEN1KMT2A
SCHEMBL18962682 0.69 MAOB (0.57) ALDH1A1APPMEN1KMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129689-B1 Keratinous fiber dyeing composition comprising N-(2-hydroxybenzene)-carbamate or N-(2-hydroxybenzene)urea derivatives as coupling agents and process for dyeing OREAL (FR) 2008-07-09 EP claimed