SCHEMBL22453102

SCHEMBL22453102

Cc1ccccc1Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ SIGMAR1 Q99720 3/20 0.45
▸ P2RX7 Q99572 2/20 0.45
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RECQL P46063 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
SCHEMBL22815320 0.82 EPHX2 (0.57) EPHX2NPC1LMNAMAPTP2RX7
SCHEMBL22815438 0.80 NPC1 (0.41) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL22453741 0.79 EPHX2 (0.49) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL24421748 0.78 EPHX2 (0.53) EPHX2NPC1LMNAMAPTGRIN2D
SCHEMBL22161661 0.78 EPHX2 (0.53) EPHX2NPC1LMNAMAPTGRIN2D
SCHEMBL21670815 0.78 EPHX2 (0.53) EPHX2NPC1LMNAMAPTGRIN2D
SCHEMBL23057588 0.78 ALDH1A1 (0.54) EPHX2NPC1LMNAMAPTALDH1A1
SCHEMBL23057475 0.78 MEN1 (0.50) EPHX2NPC1LMNAMAPTSIGMAR1
SCHEMBL22452498 0.78 HIF1A (0.60) EPHX2NPC1LMNAMAPTP2RX7
SCHEMBL31555348 0.78 HIF1A (0.60) EPHX2NPC1LMNAMAPTP2RX7

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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