SCHEMBL9316221

SCHEMBL9316221

CC(=O)OCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
KCNH2 Q12809 6/20 0.53
MAOB P27338 1/20 0.49
MAPK1 P28482 1/20 0.49
KCNJ1 P48048 2/20 0.48
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
PPARD Q03181 2/20 0.46
EPHX1 P07099 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL291412 0.86 TSHR (0.59) TSHRKCNH2KCNJ1MAPTALDH1A1
SCHEMBL291413 0.85 TSHR (0.58) TSHRKCNH2KCNJ1MAPTRAB9A
SCHEMBL11027107 0.84 TSHR (0.50) TSHRKCNH2MAOBMAPK1KCNJ1
SCHEMBL27483143 0.84 TSHR (0.53) TSHRKCNH2KCNJ1ALDH1A1CHRM5
SCHEMBL1276349 0.84 TSHR (0.53) TSHRKCNH2KCNJ1MAPTRAB9A
SCHEMBL5182834 0.83 TSHR (0.56) TSHRKCNH2KCNJ1MAPTALDH1A1
SCHEMBL9676461 0.83 TSHR (0.56) TSHRKCNH2KCNJ1MAPTALDH1A1
SCHEMBL1282588 0.83 TSHR (0.56) TSHRKCNH2MAPK1KCNJ1MAPT
SCHEMBL4567587 0.83 MAOB (0.59) MAOBMAPTRAB9AALDH1A1IDO1
SCHEMBL26448818 0.83 EPHX1 (0.52) TSHRKCNH2KCNJ1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024156288-A1 DNMT1 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS SHANGHAI KYGENT PHARMACEUTICAL CO., LTD (CN) 2024-08-02 WO disclosed
WO-2017008708-A1 METHOD FOR PREPARING INDAZOLE COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2017-01-19 WO disclosed
US-9249308-B2 Compound having bisazo dye skeleton, pigment composition containing the same, pigment dispersion, ink, and color filter resist composition CANON KABUSHIKI KAISHA (JP) 2016-02-02 US disclosed
US-20140326931-A1 NOVEL COMPOUND HAVING BISAZO DYE SKELETON, PIGMENT COMPOSITION CONTAINING THE SAME, PIGMENT DISPERSION, INK, AND COLOR FILTER RESIST COMPOSITION CANON KABUSHIKI KAISHA (JP) 2014-11-06 US disclosed
CN-103534257-A Pyrrolo [2, 3 -d] pyrimidine derivatives as inhibitors of tropomyosin- related kinases PFIZER 2014-01-22 CN disclosed
CN-1245394-C Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2006-03-15 CN disclosed
CN-1185220-C Para-substituted phenylamide glucokinase activators HOFFMANN LA ROCHE (CH) 2005-01-19 CN disclosed
CN-1151140-C Glucokinase activators - 2004-05-26 CN disclosed
CN-1427830-A Para-substituted phenylamide glucokinase activators HOFFMANN LA ROCHE (CH) 2003-07-02 CN disclosed
CN-1427829-A Substituted phenylacetamides and their use as glucokinase activators HOFFMANN LA ROCHE (CH) 2003-07-02 CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN disclosed
EP-0592552-A1 CHIRAL PHOSPHOLANES VIA CHIRAL 1,4-DIOL CYCLIC SULFATES. DU PONT (US) 1994-04-20 EP disclosed