SCHEMBL11238856

SCHEMBL11238856

Cc1ccc2occ(NC(=O)C3C(=O)c4ccccc4S(=O)(=O)N3C)c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ MAOB P27338 9/20 0.44
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TSHR P16473 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL11234155 0.90 ALDH1A1 (0.52) ALDH1A1MAOBKMT2AMEN1USP2
SCHEMBL11227836 0.89 ALDH1A1 (0.53) ALDH1A1MAOB
SCHEMBL11238000 0.88 ALDH1A1 (0.46) ALDH1A1MAOBKMT2ATSHRCYP2C9
SCHEMBL11235876 0.86 ALDH1A1 (0.48) ALDH1A1MAOBKMT2AMEN1USP2
SCHEMBL11227476 0.84 ALDH1A1 (0.46) ALDH1A1MAOBKMT2AMEN1TSHR
SCHEMBL11232506 0.84 ALDH1A1 (0.50) ALDH1A1MAOBKMT2AMEN1TSHR
SCHEMBL11245007 0.82 ALDH1A1 (0.52) ALDH1A1MAOBKMT2AMEN1POLB
SCHEMBL11240239 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1USP2POLB
SCHEMBL11227315 0.79 ALDH1A1 (0.50) ALDH1A1MAOBKMT2AMEN1TSHR
SCHEMBL11224073 0.78 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
Send feedback