SCHEMBL22445211

SCHEMBL22445211

Nc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.62
▸ ALDH1A1 P00352 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CA9 Q16790 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 3/20 0.53
▸ KEAP1 Q14145 1/20 0.53
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PRMT1 Q99873 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ HTR6 P50406 3/20 0.46

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
SCHEMBL22453464 0.84 POLB (0.58) EPHX2ALDH1A1LMNACA1CA2
SCHEMBL22452967 0.82 NPC1 (0.75) EPHX2ALDH1A1KMT2AMEN1MAPT
SCHEMBL22453465 0.81 ALDH1A1 (0.50) EPHX2ALDH1A1LMNACA1CA2
SCHEMBL22453165 0.79 ALDH1A1 (0.79) EPHX2ALDH1A1LMNAHTTKMT2A
SCHEMBL399431 0.78 ALDH1A1 (1.00) EPHX2ALDH1A1LMNAHTTKMT2A
SCHEMBL540915 0.78 CA1 (0.85) ALDH1A1CA1CA2CA9HTT
SCHEMBL11793140 0.78 CA1 (0.85) ALDH1A1CA1CA2CA9HTT
SCHEMBL28695220 0.78 EPHX2 (0.43) EPHX2ALDH1A1LMNACA1CA2
Hydrochloric Acid SCHEMBL1983434 0.77 LMNA (0.96) EPHX2ALDH1A1LMNAHTTKMT2A
SCHEMBL22453449 0.75 HIF1A (0.51) EPHX2ALDH1A1CA1CA2CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490431-A Novel small molecule inhibitors of TEAD transcription factors 总医院公司 2025-02-21 — — CN disclosed
CN-113811300-B Novel small molecule inhibitors of TEAD transcription factors 总医院公司 2024-10-29 — — CN disclosed
EP-3937943-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS The General Hospital Corporation (US) 2022-01-19 — — EP disclosed
CN-113811300-A Novel small molecule inhibitors of TEAD transcription factor 总医院公司 2021-12-17 — — CN disclosed
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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