SCHEMBL9267011

SCHEMBL9267011

COc1ccc(C(=O)c2ccccc2[N+](=O)[O-])cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NNMT P40261 1/20 0.49
▸ KMT2A Q03164 2/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ITGB1 P05556 1/20 0.44
▸ ITGA5 P08648 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL8088214 0.79 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2880593 0.79 NNMT (0.55) ALDH1A1NNMTKMT2ACDC25BMEN1
SCHEMBL9261247 0.79 KDM4E (0.46) ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL9268220 0.78 NNMT (0.58) ALDH1A1NNMTKMT2AMEN1MAPT
SCHEMBL18228074 0.76 NNMT (0.72) ALDH1A1SMN1; SMN2NNMTKMT2AMEN1
SCHEMBL31331689 0.76 HTT (0.63) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL23319565 0.75 ERN1 (0.55) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL7262531 0.74 GAA (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL13720914 0.74 TSHR (0.55) ALDH1A1SMN1; SMN2NNMTKMT2ACDC25B
SCHEMBL4268078 0.74 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5391314-A Heat resistance; cold resistance;, storage stability SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-02-21 — — US claimed
EP-0457597-B1 Electroviscous fluid composition SHINETSU CHEMICAL CO (JP) 1994-08-03 — — EP claimed
EP-0457597-A1 Electroviscous fluid composition Shin-Etsu Chemical Co., Ltd. (JP) 1991-11-21 — — EP claimed
US-4135943-A ADSORBER DISPERSED IN CROSSLINKED POLYMERIC MATRIX TOYO JOZO COMPANY, LTD. (JP) 1979-01-23 — — US claimed
US-5478933-A Benzodiazepine derivatives and their use as antagonists of cholecystokinin and/or gastrin receptors MERCK SHARPE & DOHME LTD. (GB) 1995-12-26 — — US disclosed
US-5391314-A Heat resistance; cold resistance;, storage stability SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-02-21 — — US disclosed
EP-0457597-B1 Electroviscous fluid composition SHINETSU CHEMICAL CO (JP) 1994-08-03 — — EP disclosed
WO-1993007131-A1 BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF CHOLECYSTOKININ AND/OR GASTRIN RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1993-04-15 — — WO disclosed
EP-0457597-A1 Electroviscous fluid composition Shin-Etsu Chemical Co., Ltd. (JP) 1991-11-21 — — EP disclosed
US-4135943-A ADSORBER DISPERSED IN CROSSLINKED POLYMERIC MATRIX TOYO JOZO COMPANY, LTD. (JP) 1979-01-23 — — US disclosed
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