SCHEMBL10730848

SCHEMBL10730848

CCc1nccn1Cc1csc(C(=O)CCC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPG P10696 2/20 0.40
▸ PLAA Q9Y263 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL10727036 0.91 AGTR1 (0.40) ALPGPLAAAGTR1AGTR2HDAC1
SCHEMBL10724349 0.86 LMNA (0.39) ALPGPLAAALPLALDH1A1SMN1; SMN2
SCHEMBL10729449 0.78 POLB (0.41) ALPGPLAAALPLCA12CA1
SCHEMBL10650764 0.76 HTT (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL10724330 0.73 TBXAS1 (0.54) —
SCHEMBL27886864 0.71 SMN1; SMN2 (0.58) ALPGPLAAALPLCA12CA1
SCHEMBL10646375 0.70 MEN1 (0.44) ALDH1A1SMN1; SMN2HDAC1
SCHEMBL10730533 0.69 POLB (0.43) ALPGPLAAALPLALDH1A1AGTR1
SCHEMBL10724252 0.68 PDE4A (0.37) ALPGPLAAALPLCA12CA1
SCHEMBL10724377 0.68 STING1 (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4643998-A Imidazolylalkylthienyl tetrahydropyridazines and processes for their use A. NATTERMAN & CIE GMBH (DE) 1987-02-17 — — US disclosed
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