SCHEMBL21727529

SCHEMBL21727529

C=Nc1c(S(=O)(=O)N[C@H](C)C(F)(F)F)cn(C)c1C(=O)Nc1ccc(F)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.38
▸ SLC10A1 Q14973 5/20 0.35
▸ ABCC9 O60706 2/20 0.35
▸ ABCC8 Q09428 2/20 0.35
▸ KCNJ11 Q14654 2/20 0.35
▸ KCNJ8 Q15842 2/20 0.35
▸ AR P10275 7/20 0.34
▸ PGR P06401 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ABCB11 O95342 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ GHSR Q92847 1/20 0.34
▸ RORC P51449 1/20 0.33

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
SCHEMBL16257319 0.89 GRM4 (0.41) GRM4SLC10A1ABCC9ABCC8KCNJ11
SCHEMBL16257389 0.89 GRM4 (0.41) GRM4SLC10A1ABCC9ABCC8KCNJ11
SCHEMBL21727644 0.88 GRM4 (0.40) GRM4SLC10A1ABCC9ABCC8KCNJ11
SCHEMBL16257386 0.88 GRM4 (0.40) GRM4SLC10A1ABCC9ABCC8KCNJ11
SCHEMBL16257246 0.88 GRM4 (0.40) GRM4SLC10A1ABCC9ABCC8KCNJ11
SCHEMBL16257248 0.88 GRM4 (0.40) GRM4SLC10A1ABCC9ABCC8KCNJ11
SCHEMBL16257211 0.87 GRM4 (0.40) GRM4SLC10A1ABCC9ABCC8KCNJ11
SCHEMBL17700917 0.87 GRM4 (0.40) GRM4SLC10A1ABCC9ABCC8KCNJ11
SCHEMBL17700879 0.87 GRM4 (0.42) GRM4SLC10A1ABCC9ABCC8KCNJ11
SCHEMBL16257191 0.87 GRM4 (0.42) GRM4SLC10A1ABCC9ABCC8KCNJ11

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-3121164-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-02-19 — — EP disclosed
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