SCHEMBL24612155

SCHEMBL24612155

CCCc1ccc(S(C)(=O)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
CA2 P00918 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
GPR119 Q8TDV5 1/20 0.37
MAPT P10636 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
ENPP2 Q13822 1/20 0.36
LOX P28300 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL22222937 0.88 CA2 (0.44) MBOAT4HTR2AHTR2CKCNH2PTGS2
SCHEMBL12094201 0.85 PTGS2 (0.54) MBOAT4HTR2AHTR2CKCNH2PTGS2
SCHEMBL20369612 0.84 CA2 (0.55) HTR2AHTR2CKCNH2CA2SMN1; SMN2
SCHEMBL28039981 0.84 KDM4E (0.50) HTR2AHTR2CKCNH2CA2MAPT
SCHEMBL568140 0.79 LOXL2 (0.47) MBOAT4HTR2AHTR2CKCNH2PTGS2
SCHEMBL23530021 0.79 PTGS2 (0.43) MBOAT4HTR2AHTR2CKCNH2PTGS2
SCHEMBL14760478 0.79 PTGS2 (0.43) MBOAT4HTR2AHTR2CKCNH2PTGS2
SCHEMBL1853274 0.78 LMNA (0.42) MBOAT4HTR2AHTR2CKCNH2PTGS2
Hydrochloric Acid SCHEMBL560818 0.78 LOXL2 (0.49) MBOAT4HTR2AHTR2CKCNH2PTGS2
SCHEMBL28366503 0.77 HTR2A (0.38) MBOAT4HTR2AHTR2CKCNH2PTGS2

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-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed