SCHEMBL21727548

SCHEMBL21727548

CCn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 8/20 0.45
▸ CA2 P00918 6/20 0.45
▸ CA1 P00915 5/20 0.45
▸ CA12 O43570 4/20 0.45
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HTR2B P41595 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SOS1 Q07889 1/20 0.39
▸ DNM1L O00429 1/20 0.39
▸ GRM4 Q14833 2/20 0.38

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
SCHEMBL16236823 0.89 RAB9A (0.41) CA9CA12NPC1RAB9AHTR2B
SCHEMBL16236813 0.85 HTR2B (0.49) NPC1RAB9AHTR2BLMNAMAPT
SCHEMBL18407885 0.85 MEN1 (0.50) CA9CA2CA1CA12HTR2B
SCHEMBL16237797 0.79 HTR2B (0.67) HTR2BLMNAMAPT
SCHEMBL21727482 0.78 HTR2B (0.42) HTR2BLMNAMAPT
SCHEMBL18407955 0.75 POLB (0.48) CA9CA2CA1NPC1RAB9A
SCHEMBL23677295 0.75 TP53 (0.56) CA9CA2CA1CA12LMNA
SCHEMBL25091647 0.74 NPC1 (0.41) NPC1RAB9ALMNAMAPT
SCHEMBL20131076 0.74 LMNA (0.52) CA9CA2CA1CA12LMNA
SCHEMBL21727502 0.74 THRB (0.47) CA9CA2CA1LMNA

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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