SCHEMBL31591372

SCHEMBL31591372

CCCC(Cl)n1cnc(-c2cn(-c3ccc(C(F)(F)F)cc3)c3ccc(S(=O)(=O)NC)cc23)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TEAD1 P28347 1/20 0.45
▸ YAP1 P46937 1/20 0.45
▸ TLR2 O60603 1/20 0.35
▸ TLR1 Q15399 1/20 0.35
▸ SCN9A Q15858 11/20 0.35
▸ PARG Q86W56 1/20 0.34
▸ TNNI3K Q59H18 4/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ BRAF P15056 2/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL31591338 0.87 TEAD1 (0.49) TEAD1YAP1TLR2TLR1SCN9A
SCHEMBL27255220 0.87 TEAD1 (0.49) TEAD1YAP1TLR2TLR1SCN9A
SCHEMBL27255265 0.83 TEAD1 (0.49) TEAD1YAP1TLR2TLR1SCN9A
SCHEMBL27255195 0.82 TEAD1 (0.64) TEAD1YAP1TLR2TLR1SCN9A
SCHEMBL30839909 0.81 TEAD1 (0.49) TEAD1YAP1TLR2TLR1SCN9A
SCHEMBL27255427 0.81 TEAD1 (0.49) TEAD1YAP1TLR2TLR1SCN9A
SCHEMBL27255547 0.78 TEAD1 (0.49) TEAD1YAP1TLR2TLR1SCN9A
SCHEMBL27255360 0.78 TEAD1 (0.48) TEAD1YAP1TLR2TLR1SCN9A
SCHEMBL27255432 0.78 TEAD1 (0.48) TEAD1YAP1TLR2TLR1SCN9A
SCHEMBL27255231 0.77 TEAD1 (0.46) TEAD1YAP1SCN9ATNNI3KMAPT

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
CN-120051465-A Novel heterobicyclic compounds for inhibiting YAP-TEAD interactions and pharmaceutical compositions containing the same 韩美药品株式会社 2025-05-27 — — CN disclosed
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