SCHEMBL11238000

SCHEMBL11238000

COc1ccc2occ(NC(=O)C3C(=O)c4ccccc4S(=O)(=O)N3C)c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAOB P27338 10/20 0.46
▸ HTT P42858 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MAOA P21397 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL11238856 0.88 ALDH1A1 (0.51) ALDH1A1MAOBTSHRKMT2ACYP1A2
SCHEMBL11227836 0.87 ALDH1A1 (0.53) ALDH1A1MAOBMAOA
SCHEMBL11234155 0.85 ALDH1A1 (0.52) ALDH1A1MAOBLMNASMN1; SMN2RAB9A
SCHEMBL11235876 0.82 ALDH1A1 (0.48) ALDH1A1MAOBLMNAKMT2AL3MBTL1
SCHEMBL11227476 0.82 ALDH1A1 (0.46) ALDH1A1MAOBHTTLMNATSHR
SCHEMBL11232506 0.78 ALDH1A1 (0.50) ALDH1A1MAOBLMNATSHRSMN1; SMN2
SCHEMBL11245007 0.78 ALDH1A1 (0.52) ALDH1A1MAOBLMNASMN1; SMN2KMT2A
SCHEMBL11240239 0.77 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2PTGS2RAB9A
SCHEMBL11224073 0.76 MAOB (0.43) ALDH1A1MAOB
SCHEMBL11232516 0.72 MAOB (0.39) ALDH1A1MAOBTSHRMAOARAB9A

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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