SCHEMBL29704172

SCHEMBL29704172

Cc1nc(N[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ PTGES2 Q9H7Z7 2/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ KIF11 P52732 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
SCHEMBL29704119 0.80 CA2 (0.45) PTGES2HSD11B1CA1CA2CA9
SCHEMBL26669262 0.77 PTGS2 (0.47) PTGS2CA1CA2CA9KIF11
SCHEMBL26669264 0.75 GAA (0.44) HSD11B1KIF11
SCHEMBL20022025 0.71 PSEN1 (0.49) PDE2AGPR55CNR2HDAC4HDAC1
SCHEMBL29473398 0.69 TEAD1 (0.43) PDE2ACNR2PTGES2PSEN1PSEN2
SCHEMBL29473379 0.69 TEAD1 (0.43) PDE2ACNR2PTGES2PSEN1PSEN2
SCHEMBL20021789 0.67 HDAC4 (0.44) PDE2AGPR55CNR2HDAC4HDAC1
SCHEMBL8038833 0.67 PDE2A (0.44) PDE2AGPR55CNR2HDAC4HDAC1
SCHEMBL30639753 0.65 GPR55 (0.47) GPR55PSEN1PSEN2APH1BNCSTN
SCHEMBL26614627 0.65 GPR55 (0.47) GPR55PSEN1PSEN2APH1BNCSTN

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-4281073-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER Ikena Oncology, Inc. (US) 2023-11-29 — — EP disclosed
WO-2022159986-A1 COMBINATION OF A 3-(IMIDAZOL-4-YL)-4-(AMINO)-BENZENESULFONAMIDE TEAD INHIBITOR WITH AN EGFR INHIBITOR AND/OR MEK INHIBITOR FOR USE IN THE TREATMENT OF LUNG CANCER Ikena Oncology, Inc. (US) 2022-07-28 — — WO disclosed
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