SCHEMBL6903658

SCHEMBL6903658

O=CNc1ccc(N(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
NPSR1 Q6W5P4 4/20 0.45
KMT2A Q03164 4/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NR3C2 P08235 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL28559776 0.81 ALDH1A1 (0.64) ALDH1A1NPSR1KMT2ANPC1RAB9A
SCHEMBL19778 0.78 NPSR1 (0.70) ALDH1A1NPSR1KMT2ANPC1RAB9A
SCHEMBL11810925 0.76 LMNA (0.47) ALDH1A1NPSR1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL5094831 0.76 NPSR1 (0.67) ALDH1A1NPSR1KMT2ANPC1RAB9A
Bromide SCHEMBL31210017 0.76 NPSR1 (0.67) ALDH1A1NPSR1KMT2ANPC1RAB9A
Diphenylamine SCHEMBL10650342 0.75 NPSR1 (0.54) ALDH1A1NPSR1KMT2ANPC1RAB9A
Dimethylamine SCHEMBL10653757 0.74 NPSR1 (0.58) ALDH1A1NPSR1KMT2ANPC1RAB9A
SCHEMBL10133326 0.74 ALDH1A1 (0.54) ALDH1A1NPSR1KMT2ANPC1RAB9A
SCHEMBL23353504 0.73 ALDH1A1 (1.00) ALDH1A1NPSR1NPC1RAB9ATDP1
Formanilide SCHEMBL29177030 0.73 ALDH1A1 (1.00) ALDH1A1NPSR1NPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1024691-A4 SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS ISP INVESTMENTS INC (US) 2004-08-18 EP disclosed
EP-1024691-A1 SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS ISP INVESTMENTS INC. (US) 2000-08-09 EP disclosed
WO-1998033378-A1 SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS ISP INVESTMENTS INC. (US) 1998-08-06 WO disclosed