SCHEMBL22453340

SCHEMBL22453340

O=C(CCc1ccc(Nc2ccccc2C(=O)O)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.56
▸ EPAS1 Q99814 1/20 0.56
▸ HCAR2 Q8TDS4 11/20 0.48
▸ EPHX2 P34913 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL22453739 0.89 KDM4E (0.53) HIF1AEPAS1EPHX2RECQLSMN1; SMN2
SCHEMBL22453247 0.85 EPHX2 (0.65) HIF1AEPAS1EPHX2MEN1KMT2A
SCHEMBL31555348 0.85 HIF1A (0.60) HIF1AEPAS1EPHX2MEN1RECQL
SCHEMBL22452498 0.85 HIF1A (0.60) HIF1AEPAS1EPHX2MEN1RECQL
SCHEMBL22452680 0.82 HIF1A (0.64) HIF1AEPAS1EPHX2MEN1KMT2A
SCHEMBL22453497 0.82 SERPINE1 (0.57) HIF1AEPAS1EPHX2MEN1KMT2A
SCHEMBL22452527 0.82 SERPINE1 (0.57) HIF1AEPAS1EPHX2MEN1KMT2A
SCHEMBL22452751 0.80 HIF1A (0.51) HIF1AEPAS1EPHX2MEN1KMT2A
SCHEMBL22452502 0.80 HIF1A (0.54) HIF1AEPAS1EPHX2MEN1RECQL
SCHEMBL22453510 0.80 NPC1 (0.54) HIF1AEPHX2RECQLSMN1; SMN2NPC1

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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