SCHEMBL22452629

SCHEMBL22452629

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PGR P06401 1/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ BDKRB1 P46663 2/20 0.45
▸ PKM P14618 1/20 0.45

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
SCHEMBL22452630 0.87 LMNA (0.45) NPC1ALDH1A1POLBLMNAMAPK1
SCHEMBL22452967 0.84 NPC1 (0.75) NPC1ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL22453465 0.83 ALDH1A1 (0.50) ALDH1A1LMNAPGREPHX2
SCHEMBL22445038 0.82 NPC1 (0.61) NPC1ALDH1A1POLBLMNAMAPT
SCHEMBL22452725 0.81 MEN1 (0.46) ALDH1A1POLBLMNAKMT2ATDP1
SCHEMBL22453774 0.80 LMNA (0.47) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL22452983 0.79 MEN1 (0.48) ALDH1A1POLBLMNAKMT2A
SCHEMBL22453775 0.78 LMNA (0.49) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL11887610 0.78 MAPK1 (0.70) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL22453073 0.78 DHODH (0.47) NPC1ALDH1A1LMNAMAPTSMN1; SMN2

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
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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