SCHEMBL8893244

SCHEMBL8893244

CCC(NC(=O)Cc1ccc(OC)c(S(=O)(=O)NC(=S)NC)c1)c1cc[nH]c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.36
P2RX7 Q99572 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PTPRB P23467 1/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 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
SCHEMBL8890315 0.92 ABCC8 (0.38) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891260 0.91 PTPRB (0.37) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8890364 0.91 ABCC9 (0.37) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8892439 0.90 ABCC9 (0.47) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8894354 0.89 ABCC9 (0.34) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891519 0.88 ABCC9 (0.49) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891719 0.86 ABCC9 (0.32) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8901725 0.84 ABCC9 (0.46) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891348 0.84 ABCC9 (0.46) ABCC9ABCC8KCNJ11GAAKMT2A
SCHEMBL8891936 0.84 ABCC9 (0.46) ABCC9ABCC8KCNJ11GAAKMT2A

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