SCHEMBL10608062

SCHEMBL10608062

Cc1ccc(S(=O)(=O)O)c(C(C)COc2ccccc2C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ HTR7 P34969 4/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL531432 0.77 LMNA (0.47) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL29231947 0.77 TACR1 (0.39) KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL17666797 0.76 KAT6A (0.37) MEN1KMT2ALMNAADRB2ADRB1
SCHEMBL20583465 0.76 ATM (0.36) MEN1KMT2ALMNAL3MBTL1NR3C1
SCHEMBL9316798 0.76 LPAR1 (0.42) KMT2ALMNAALDH1A1
SCHEMBL15988245 0.75 ALDH1A1 (0.40) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL9615904 0.74 RORC (0.39) MEN1KMT2ALMNAL3MBTL1NR3C1
SCHEMBL9724989 0.74 RORC (0.39) MEN1KMT2ALMNAL3MBTL1NR3C1
SCHEMBL20583291 0.73 POLB (0.32) MEN1KMT2AL3MBTL1NR3C1ALDH1A1
SCHEMBL10608140 0.73 KMT2A (0.47) KMT2ALMNAL3MBTL1ALDH1A1

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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