SCHEMBL22453029

SCHEMBL22453029

CCNC(=O)c1ccccc1Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ HIF1A Q16665 1/20 0.46
▸ EPAS1 Q99814 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PTK2 Q05397 1/20 0.45
▸ P2RX7 Q99572 4/20 0.44
▸ CNR2 P34972 3/20 0.43
▸ CXCR2 P25025 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ MT-CO2 P00403 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL22453611 0.89 P2RX7 (0.43) EPHX2NPC1HIF1AEPAS1MAPK1
SCHEMBL22452498 0.83 HIF1A (0.60) EPHX2NPC1HIF1AEPAS1P2RX7
SCHEMBL31555348 0.83 HIF1A (0.60) EPHX2NPC1HIF1AEPAS1P2RX7
SCHEMBL22452503 0.82 MAPT (0.58) EPHX2NPC1HIF1AEPAS1CNR2
SCHEMBL22452479 0.79 EPHX2 (0.50) EPHX2NPC1HIF1AEPAS1CNR2
SCHEMBL22452502 0.78 HIF1A (0.54) EPHX2NPC1HIF1AEPAS1KMT2A
SCHEMBL22452501 0.78 MAPT (0.55) EPHX2NPC1HIF1AEPAS1CNR2
SCHEMBL22453247 0.77 EPHX2 (0.65) EPHX2NPC1HIF1AEPAS1P2RX7
SCHEMBL22452652 0.76 EPHX2 (0.61) EPHX2NPC1HIF1AEPAS1CNR2
SCHEMBL22453102 0.75 EPHX2 (0.49) EPHX2NPC1HIF1AEPAS1P2RX7

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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