SCHEMBL10608140

SCHEMBL10608140

Cc1ccc(S(=O)(=O)O)c(C(C)COc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 2/20 0.44
▸ MAPT P10636 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TBXA2R P21731 4/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3138442 0.74 CA9 (0.42) KMT2AMAPTALDH1A1POLBHTT
SCHEMBL17666797 0.73 KAT6A (0.37) KMT2AGAAMAPTHTTLMNA
SCHEMBL10608062 0.73 MEN1 (0.39) KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL15988245 0.73 ALDH1A1 (0.40) KMT2AGAAMAPTALDH1A1POLB
SCHEMBL9615904 0.72 RORC (0.39) KMT2AGAAMAPTALDH1A1POLB
SCHEMBL9724989 0.72 RORC (0.39) KMT2AGAAMAPTALDH1A1POLB
SCHEMBL10560063 0.71 TSHR (0.48) KMT2AGAAMAPTALDH1A1POLB
SCHEMBL20583291 0.71 POLB (0.32) KMT2AGAAALDH1A1POLBHTT
SCHEMBL23357600 0.70 CYP1A2 (0.41) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL9614144 0.70 MEP1B (0.36) KMT2AGAAMAPTALDH1A1POLB

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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