SCHEMBL28695220

SCHEMBL28695220

[CH2]c1ccccc1Nc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.43
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ GAA P10253 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ PGR P06401 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37

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
SCHEMBL22453449 0.84 HIF1A (0.51) EPHX2MEN1KMT2AGAAALDH1A1
SCHEMBL22453772 0.81 MAPT (0.48) EPHX2MEN1KMT2AGAAALDH1A1
SCHEMBL22445211 0.78 EPHX2 (0.62) EPHX2MEN1KMT2AALDH1A1NPC1
SCHEMBL28676301 0.77 EPHX2 (0.54) EPHX2MEN1KMT2ANPC1CA1
SCHEMBL22452967 0.74 NPC1 (0.75) EPHX2MEN1KMT2AGAAALDH1A1
SCHEMBL22452764 0.74 KMT2A (0.48) EPHX2MEN1KMT2AGAAALDH1A1
SCHEMBL22452708 0.72 EPHX2 (0.41) EPHX2MEN1KMT2AGAANPC1
SCHEMBL22453464 0.71 POLB (0.58) EPHX2KMT2AALDH1A1PKMNPC1
SCHEMBL22453102 0.70 EPHX2 (0.49) EPHX2MEN1KMT2AGAAALDH1A1
SCHEMBL22815320 0.70 EPHX2 (0.57) EPHX2MEN1KMT2AGAAALDH1A1

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-113811300-A Novel small molecule inhibitors of TEAD transcription factor 总医院公司 2021-12-17 — — CN disclosed
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