SCHEMBL8892542

SCHEMBL8892542

CCOc1ccc(CC(=O)NC(C)c2ccc[nH]2)cc1S(=O)(=O)NC(=S)NC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 2/20 0.39
ABCC9 O60706 1/20 0.39
KCNJ11 Q14654 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 3/20 0.36
LMNA P02545 5/20 0.35
ALPL P05186 2/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC22A1 O15245 1/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL8891137 0.93 GAA (0.39) ABCC8ABCC9KCNJ11ALDH1A1KMT2A
SCHEMBL8893342 0.91 ALDH1A1 (0.35) ABCC8ALDH1A1KMT2AMAPTGAA
SCHEMBL8893327 0.91 ABCC9 (0.47) ABCC8ABCC9KCNJ11ALDH1A1KMT2A
SCHEMBL8890783 0.91 ABCC8 (0.38) ABCC8ABCC9KCNJ11ALDH1A1KMT2A
SCHEMBL8890321 0.87 LMNA (0.35) ABCC8ABCC9KCNJ11ALDH1A1KMT2A
SCHEMBL8891396 0.86 ALDH1A1 (0.46) ABCC8ABCC9KCNJ11ALDH1A1KMT2A
SCHEMBL8890853 0.84 L3MBTL1 (0.41) ABCC8ABCC9KCNJ11ALDH1A1KMT2A
SCHEMBL8890803 0.84 TBXA2R (0.36) ALDH1A1MAPTGAALMNAHPGD
SCHEMBL8893935 0.84 ABCC9 (0.39) ABCC8ABCC9KCNJ11ALDH1A1KMT2A
SCHEMBL8892350 0.84 ABCC9 (0.33) ABCC8ABCC9KCNJ11ALDH1A1KMT2A

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