SCHEMBL4668962

SCHEMBL4668962

CNc1ccc(N(O)C(=O)O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 3/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRKCI P41743 1/20 0.33
HCAR3 P49019 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL4668704 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EGLAGAANR1H2
SCHEMBL4668038 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL4669179 0.74 CYP3A4 (0.43) ALDH1A1KDM4EGAAMAPK1MAPT
SCHEMBL988555 0.72 TSHR (0.59) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL4667384 0.71 TSHR (0.41) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL972928 0.69 SRD5A2 (0.48) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL11815093 0.69 APEX1 (0.45) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL16281303 0.68 PRKCI (0.62) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL988434 0.68 LRRK2 (0.48) ALDH1A1KDM4EGLAGAASMN1; SMN2
SCHEMBL6129408 0.68 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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