SCHEMBL9813588

SCHEMBL9813588

CCN1C(=O)CSC1=CC(=O)Nc1c(C)cccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PSMD14 O00487 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40

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
SCHEMBL9813583 1.00 LMNA (0.45) LMNAKMT2APKMALDH1A1TDP1
SCHEMBL9813556 0.87 MAPK1 (0.44) LMNAKMT2APKMALDH1A1TDP1
SCHEMBL9813555 0.87 MAPK1 (0.44) LMNAKMT2APKMALDH1A1TDP1
SCHEMBL9813563 0.86 LMNA (0.49) LMNAKMT2APKMALDH1A1TDP1
SCHEMBL9813560 0.86 LMNA (0.49) LMNAKMT2APKMALDH1A1TDP1
SCHEMBL9813569 0.84 PSMD14 (0.61) LMNAKMT2APKMALDH1A1TDP1
SCHEMBL9813566 0.84 PSMD14 (0.61) LMNAKMT2APKMALDH1A1TDP1
SCHEMBL10849384 0.80 ALDH1A1 (0.47) LMNAKMT2AALDH1A1TDP1PSMD14
SCHEMBL10849390 0.80 ALDH1A1 (0.47) LMNAKMT2AALDH1A1TDP1PSMD14
Ralitoline SCHEMBL635346 0.76 PSMD14 (0.55) ALDH1A1TDP1PSMD14

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-0124911-B1 4-OXO-THIAZOLIDIN-2-YLIDEN-ACETAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM ILLNESSES CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-07-31 — — EP disclosed
US-4563471-A CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1986-01-07 — — US disclosed
EP-0124911-A2 4-Oxo-thiazolidin-2-yliden-acetamide derivatives, process for their preparation, and medicaments for the treatment of central nervous system illnesses containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1984-11-14 — — EP disclosed
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