SCHEMBL11245007

SCHEMBL11245007

Cc1cccc2c(=O)c(NC(=O)C3C(=O)c4ccccc4S(=O)(=O)N3C)coc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MAOB P27338 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FBP1 P09467 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL11240239 0.87 ALDH1A1 (0.48) ALDH1A1L3MBTL1TDP1MAPTPOLB
SCHEMBL11227836 0.86 ALDH1A1 (0.53) ALDH1A1MAOB
SCHEMBL11234155 0.85 ALDH1A1 (0.52) ALDH1A1L3MBTL1TDP1MAOBPOLB
SCHEMBL11238856 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL11235876 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1TDP1MAOBPOLB
SCHEMBL11232506 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPTMAOB
SCHEMBL11222442 0.78 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1CYP3A4CYP2C9
SCHEMBL11227476 0.78 ALDH1A1 (0.46) ALDH1A1MAPTMAOBPOLBMAPK1
SCHEMBL11238000 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTCYP2C9CYP2C19
SCHEMBL11224073 0.75 MAOB (0.43) ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4327091-A ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-04-27 — — US claimed
EP-0003360-B1 AZATHIANAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR UTILISATION CIBA-GEIGY AG (CH) 1981-12-30 — — EP claimed
US-4213980-A ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1980-07-22 — — US claimed
US-4327091-A ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1982-04-27 — — US disclosed
US-4213980-A ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1980-07-22 — — US disclosed
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