SCHEMBL10726048

SCHEMBL10726048

C=C(C)CN1C(=O)C(C)SC1=NN=C1SC(=O)C(=O)N1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL9684384 0.89 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL9494024 0.81 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL9494018 0.81 ALDH1A1 (0.33) ALDH1A1KDM4EMEN1NPC1LMNA
SCHEMBL9492364 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9492368 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9494748 0.76 — —
SCHEMBL9494743 0.76 — —
SCHEMBL10876986 0.75 ALDH1A1 (0.33) ALDH1A1
Phosphoric Acid SCHEMBL10880246 0.75 ALDH1A1 (0.35) ALDH1A1MEN1KMT2A
SCHEMBL9493724 0.75 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224515-A1 SUBSTITUTED THIAZOLIDINYL ETHER CIBA-GEIGY AG (CH) 1987-06-10 — — EP disclosed
WO-1986007360-A1 SUBSTITUTED THIAZOLIDINYL ETHER CIBA-GEIGY AG (CH) 1986-12-18 — — WO disclosed
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