SCHEMBL10514546

SCHEMBL10514546

Cn1c(S(N)(=O)=O)cc2c1C(=O)CCS2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.47
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.34
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
LMNA P02545 1/20 0.30
TSHR P16473 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
SCHEMBL10801129 0.69 CA2 (0.47) CA2LMNA
SCHEMBL10512559 0.64 CA2 (1.00) CA2KDM4EALDH1A1HTTVHL
SCHEMBL10514261 0.62 CA2 (0.49) CA2KDM4EALDH1A1HTTVHL
SCHEMBL10512165 0.57 CA2 (1.00) CA2KDM4EALDH1A1HTTVHL
SCHEMBL9539111 0.57 CA2 (0.63) CA2
SCHEMBL10699546 0.56 CA2 (0.53) CA2KDM4ELMNA
SCHEMBL18007525 0.56 CA2 (0.53) CA2KDM4ELMNA
SCHEMBL9607758 0.56 KDM4E (0.56) CA2KDM4EALDH1A1HTTVHL
SCHEMBL8219509 0.54 KDM4E (0.41) CA2KDM4EALDH1A1HTTVHL
SCHEMBL2775772 0.54 KDM4E (0.63) CA2KDM4EALDH1A1HTTVHL

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
EP-0189690-B1 SUBSTITUTED AROMATIC SULFONAMIDES, THEIR PREPARATION AND OPHTHALMIC COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-03-01 EP disclosed