SCHEMBL10608096

SCHEMBL10608096

CC(COc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN2A Q99250 1/20 0.48
▸ GAA P10253 2/20 0.46
▸ PKM P14618 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL6366282 0.81 TDP1 (0.49) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL6366286 0.81 TDP1 (0.49) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL6371566 0.81 TDP1 (0.49) ALDH1A1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL10603968 0.77 KMT2A (0.69) SCN2AGAAPKMALDH1A1KMT2A
SCHEMBL9770478 0.76 SCN2A (0.54) SCN2AGAAPKMALDH1A1MAPT
SCHEMBL3045885 0.75 MAPT (0.68) GAAALDH1A1KMT2AMAPTMEN1
SCHEMBL10643494 0.75 GAA (0.58) GAAALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL29365592 0.74 ALDH1A1 (0.47) SCN2AGAAPKMALDH1A1KMT2A
SCHEMBL4352529 0.74 LTA4H (0.52) GAAALDH1A1KMT2AMAPTTDP1
SCHEMBL4352532 0.74 LTA4H (0.52) GAAALDH1A1KMT2AMAPTTDP1

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-0113910-B1 ISOCARBOSTYRIL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-10-11 — — EP disclosed
US-4526893-A Pharmaceuticals NISSHIN FLOUR MILLING CO., LTD. (JP) 1985-07-02 — — US disclosed
EP-0113910-A1 Isocarbostyril derivatives, processes for their preparation and pharmaceutical compositions containing them NISSHIN FLOUR MILLING CO., LTD. (JP) 1984-07-25 — — EP disclosed
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