SCHEMBL11112539

SCHEMBL11112539

NC(CSC=S)(C(=O)O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 5/20 0.41
▸ KCNE1 P15382 1/20 0.38
▸ KCNQ1 P51787 1/20 0.38
▸ KIF11 P52732 2/20 0.36
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ CTNNB1 P35222 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ GRM2 Q14416 2/20 0.31
▸ GRM3 Q14832 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PTGS2 P35354 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
SCHEMBL1702810 0.73 KCNN4 (0.45) KCNN4KCNE1KCNQ1KIF11CYP2C19
SCHEMBL935388 0.66 KCNN4 (0.51) KCNN4KCNE1KCNQ1KIF11CYP2C19
SCHEMBL15535815 0.66 KCNN4 (0.51) KCNN4KCNE1KCNQ1KIF11CYP2C19
SCHEMBL714233 0.66 KCNN4 (0.51) KCNN4KCNE1KCNQ1KIF11CYP2C19
SCHEMBL11112545 0.66 ALDH1A1 (0.37) SMN1; SMN2HIF1AALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27841045 0.64 KCNN4 (0.57) KCNN4KCNE1KCNQ1KIF11SMN1; SMN2
SCHEMBL17420795 0.63 KCNN4 (0.52) KCNN4KCNE1KCNQ1SMN1; SMN2CTNNB1
SCHEMBL31414989 0.63 KCNN4 (0.52) KCNN4KCNE1KCNQ1SMN1; SMN2CTNNB1
SCHEMBL3818506 0.63 KCNN4 (0.52) KCNN4KCNE1KCNQ1KIF11SMN1; SMN2
SCHEMBL21632343 0.63 KCNN4 (0.47) KCNN4KCNE1KCNQ1KIF11CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4450159-A ORGAN TRANSPLANTS; IMMUNOLOGY THE UPJOHN COMPANY (US) 1984-05-22 — — US disclosed
US-4352929-A ANTIBODY INHIBITORS THE UPJOHN COMPANY (US) 1982-10-05 — — US disclosed
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