SCHEMBL9053887

SCHEMBL9053887

C=CCNC(=S)NN=C1SC(C)(C)C(=O)N1CC(=C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ GAA P10253 5/20 0.39
▸ MAPT P10636 5/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 6/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HTT P42858 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PTBP1 P26599 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALOX12 P18054 1/20 0.32
▸ KCNH2 Q12809 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
SCHEMBL9152818 0.85 ALDH1A1 (0.30) ALDH1A1MAPTTDP1KCNH2
SCHEMBL9054112 0.77 POLB (0.30) POLB
SCHEMBL9145266 0.67 ALDH1A1 (0.47) ALDH1A1GAAMAPTNPSR1POLB
SCHEMBL9054381 0.67 ALDH1A1 (0.44) ALDH1A1GAAMAPTNPSR1POLB
SCHEMBL9053850 0.66 LMNA (0.48) ALDH1A1GAAMAPTNPSR1POLB
SCHEMBL11812673 0.66 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9495401 0.66 ALDH1A1 (0.32) ALDH1A1GAAMAPTLMNA
SCHEMBL9495397 0.66 ALDH1A1 (0.32) ALDH1A1GAAMAPTLMNA
SCHEMBL9053704 0.65 — —
SCHEMBL9053600 0.62 LMNA (0.35) ALDH1A1GAAMAPTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508955-B1 Use of 2-iminothiazolidin-4-one derivatives as new medicaments CIBA GEIGY AG (CH) 1996-06-19 — — EP claimed
EP-0508955-A1 Use of 2-iminothiazolidin-4-one derivatives as new medicaments CIBA-GEIGY AG (CH) 1992-10-14 — — EP claimed
EP-0508955-B1 Use of 2-iminothiazolidin-4-one derivatives as new medicaments CIBA GEIGY AG (CH) 1996-06-19 — — EP disclosed
US-5399576-A Rheumatic diseases CIBA-GEIGY CORPORATION (US) 1995-03-21 — — US disclosed
US-5378719-A Antiarthritic agents; rheumatic diseases CIBA-GEIGY CORPORATION (US) 1995-01-03 — — US disclosed
US-5229405-A Rheumatic diseases CIBA-GEIGY CORPORATION (US) 1993-07-20 — — US disclosed
EP-0548018-A1 Imidazoles CIBA-GEIGY AG (CH) 1993-06-23 — — EP disclosed
EP-0548017-A1 Thiazoles CIBA-GEIGY AG (CH) 1993-06-23 — — EP disclosed
EP-0508955-A1 Use of 2-iminothiazolidin-4-one derivatives as new medicaments CIBA-GEIGY AG (CH) 1992-10-14 — — EP disclosed
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