SCHEMBL22452697

SCHEMBL22452697

CN(c1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)cc1)c1ncccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.41
▸ DHODH Q02127 6/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HIF1A Q16665 1/20 0.37
▸ EPAS1 Q99814 1/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LTC4S Q16873 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL22452747 0.92 SERPINE1 (0.41) SERPINE1DHODHRAB9AKMT2AMEN1
SCHEMBL22452574 0.92 CNR2 (0.41) SERPINE1DHODHKMT2AMEN1SMN1; SMN2
SCHEMBL22453241 0.88 NPC1 (0.44) SERPINE1DHODHRAB9AKMT2AMEN1
SCHEMBL22453012 0.87 LTC4S (0.39) SERPINE1KMT2AMEN1SMN1; SMN2HIF1A
SCHEMBL22452783 0.86 LMNA (0.33) SERPINE1KMT2AMEN1SMN1; SMN2HIF1A
SCHEMBL22453641 0.85 DHODH (0.55) SERPINE1DHODHRAB9AKMT2AMEN1
SCHEMBL22453211 0.84 DHODH (0.47) SERPINE1DHODHRAB9AKMT2AMEN1
SCHEMBL22452579 0.83 CNR2 (0.40) SERPINE1DHODHKMT2AMEN1SMN1; SMN2
SCHEMBL22453242 0.83 HIF1A (0.43) SERPINE1RAB9AKMT2AMEN1HIF1A
SCHEMBL22452529 0.82 DHODH (0.41) SERPINE1DHODHRAB9AKMT2AMEN1

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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