SCHEMBL8893286

SCHEMBL8893286

CCOc1ccc(CC(=O)NC(C)c2ccsc2)cc1S(=O)(=O)NC(=S)NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
ABCC8 Q09428 2/20 0.39
ABCC9 O60706 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KMT2A Q03164 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
SLC22A1 O15245 1/20 0.34
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
NR1I2 O75469 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HTR2A P28223 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
SCHEMBL8890852 0.93 ABCC9 (0.38) ALDH1A1POLBABCC8ABCC9KCNJ11
SCHEMBL8890922 0.91 ABCC8 (0.38) ALDH1A1POLBABCC8ABCC9KCNJ11
SCHEMBL8891944 0.91 ABCC9 (0.48) ALDH1A1POLBABCC8ABCC9KCNJ11
SCHEMBL8893995 0.91 ALDH1A1 (0.41) ALDH1A1POLBABCC8KMT2ALMNA
SCHEMBL8891396 0.88 ALDH1A1 (0.46) ALDH1A1ABCC8ABCC9KCNJ11KMT2A
SCHEMBL8894111 0.86 HTT (0.37) ALDH1A1ABCC8ABCC9KCNJ11KMT2A
SCHEMBL8893258 0.86 ALDH1A1 (0.47) ALDH1A1POLBABCC8ABCC9KCNJ11
SCHEMBL8892844 0.85 ABCC9 (0.39) ALDH1A1POLBABCC8ABCC9KCNJ11
SCHEMBL8890853 0.85 L3MBTL1 (0.41) ALDH1A1POLBABCC8ABCC9KCNJ11
SCHEMBL8893935 0.85 ABCC9 (0.39) ALDH1A1POLBABCC8ABCC9KCNJ11

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-5607976-A ANNTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed