SCHEMBL899409

SCHEMBL899409

CS(=O)(=O)c1ccc([N+](=O)[O-])c(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.58
TSHR P16473 2/20 0.58
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
CA9 Q16790 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
NSD2 O96028 1/20 0.49
GAA P10253 1/20 0.49
PLCG1 P19174 1/20 0.49
DNMT1 P26358 1/20 0.49
CASP6 P55212 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
G6PD P11413 1/20 0.49

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
SCHEMBL913390 0.85 ALDH1A1 (0.68) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL11484305 0.83 CA2 (0.64) TDP1TSHRALDH1A1MAPTPKM
SCHEMBL11493058 0.82 MAPT (0.55) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL11758589 0.81 CASP6 (0.67) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL11486729 0.81 ALDH1A1 (0.77) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL18780668 0.80 ALDH1A1 (0.53) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL6516381 0.79 MAPT (0.53) TSHRALDH1A1MAPTPKMMEN1
SCHEMBL9464985 0.79 CA9 (0.73) TDP1ALDH1A1MAPTLMNAPKM
SCHEMBL9517669 0.78 MAPT (0.52) TDP1TSHRALDH1A1MAPTLMNA
SCHEMBL11876416 0.78 GPR35 (0.56) TDP1TSHRALDH1A1MAPTLMNA

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
CN-109956927-A Benzimidazoles derivative, preparation method and its in application pharmaceutically 北京诺诚健华医药科技有限公司 2019-07-02 CN disclosed
WO-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
US-4185018-A Process for producing benzofurazan-1-oxides CIBA-GEIGY CORPORATION (US) 1980-01-22 US disclosed