SCHEMBL9152818

SCHEMBL9152818

C=C(C)CN1C(=O)C(C)(C)SC1=NNC(=S)NC

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9053887 0.85 ALDH1A1 (0.39) ALDH1A1MAPTKCNH2TDP1
SCHEMBL9053600 0.76 LMNA (0.35) ALDH1A1MAPT
SCHEMBL11812673 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9054287 0.75 ALDH1A1 (0.30) ALDH1A1MAPTKCNH2TDP1
SCHEMBL9053704 0.74 — —
SCHEMBL9495401 0.63 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL9495397 0.63 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL9492962 0.62 — —
SCHEMBL9053874 0.61 LMNA (0.49) ALDH1A1MAPT
SCHEMBL29780034 0.61 LMNA (0.49) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0548017-A1 Thiazoles CIBA-GEIGY AG (CH) 1993-06-23 — — EP disclosed
EP-0548018-A1 Imidazoles CIBA-GEIGY AG (CH) 1993-06-23 — — EP disclosed
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