SCHEMBL31401431

SCHEMBL31401431

COC(=O)c1cc(OC(F)(F)F)cc(S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.45
NOTUM Q6P988 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
SDHB P21912 1/20 0.41
KAT6A Q92794 3/20 0.40
PTGS2 P35354 2/20 0.40
ALPL P05186 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL30263067 0.89 NOTUM (0.40) GPBAR1NOTUMSDHBPTGS2CA1
SCHEMBL30263072 0.89 NOTUM (0.43) GPBAR1NOTUMMRGPRX4SDHBPTGS2
SCHEMBL29283393 0.89 NOTUM (0.43) GPBAR1NOTUMMRGPRX4SDHBPTGS2
SCHEMBL29283387 0.89 NOTUM (0.40) GPBAR1NOTUMSDHBPTGS2CA1
SCHEMBL22926045 0.86 AURKA (0.44) GPBAR1MRGPRX4KAT6APTGS2LMNA
SCHEMBL30714944 0.85 GPBAR1 (0.43) GPBAR1KAT6APTGS2ALPLCA1
SCHEMBL23213189 0.84 NOTUM (0.41) GPBAR1NOTUMMRGPRX4KAT6AALPL
SCHEMBL5619177 0.84 CA1 (0.47) PTGS2CA1CA2CA7CA9
SCHEMBL475839 0.84 NOTUM (0.50) NOTUMMRGPRX4CA1CA2CA7
SCHEMBL29283385 0.82 NOTUM (0.40) GPBAR1NOTUMSDHBPTGS2CA1

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
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed