SCHEMBL3145158

SCHEMBL3145158

CCc1cccc(N(O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
NLRP3 Q96P20 2/20 0.37
TDP1 Q9NUW8 3/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
NR1I2 O75469 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DAO P14920 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
SCHEMBL30343303 1.00 GABRA1 (0.46) GABRA1GABRB2NLRP3TDP1TP53
SCHEMBL6420986 0.84 DAO (0.35) GABRA1GABRB2PDCD1CD274DAO
SCHEMBL29484238 0.80 GABRA1 (0.46) GABRA1GABRB2TP53ALDH1A1TSHR
SCHEMBL154994 0.80 GABRA1 (0.46) GABRA1GABRB2TP53ALDH1A1TSHR
SCHEMBL7187270 0.79 GABRA1 (0.41) GABRA1GABRB2NLRP3TDP1TP53
SCHEMBL9488567 0.78 GABRA1 (0.45) GABRA1GABRB2TDP1TP53ALDH1A1
SCHEMBL599099 0.77 GABRA1 (0.57) GABRA1GABRB2NLRP3TP53CYP3A4
SCHEMBL13368899 0.76 GABRA1 (0.39) GABRA1GABRB2TDP1TP53ALDH1A1
SCHEMBL10580939 0.76 GABRA1 (0.39) GABRA1GABRB2NLRP3TDP1TP53
SCHEMBL30772111 0.75 GABRA1 (0.39) GABRA1GABRB2NLRP3TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716204-B1 UNSATURATED POLYESTER RESINS OR VINYL ESTER RESIN COMPOSITIONS DSM IP ASSETS BV (NL) 2010-01-27 EP disclosed
EP-1564254-A1 Unsaturated polyester resing or vinyl ester resin compositions DSM IP Assets B.V. (NL) 2005-08-17 EP disclosed
EP-1003564-A1 SOFT ORTHOPEDIC CASTING ARTICLE WITH REINFORCEMENT SYSTEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-05-31 EP disclosed
US-5913840-A Soft orthopedic casting article with reinforcement system MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-22 US disclosed
WO-1999008725-A1 SOFT ORTHOPEDIC CASTING ARTICLE WITH REINFORCEMENT SYSTEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-02-25 WO disclosed
EP-0636667-B1 Electrodepositable coating composition KANSAI PAINT CO LTD (JP) 1997-10-08 EP disclosed
US-5483012-A Electrodepositable coating composition KANSAI PAINT COMPANY LIMITED (JP) 1996-01-09 US disclosed
EP-0636667-A1 Electrodepositable coating composition KANSAI PAINT CO., LTD. (JP) 1995-02-01 EP disclosed