SCHEMBL22453409

SCHEMBL22453409

CCOC(=O)c1ccnc(Nc2ccc(Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3Cl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 11/20 0.49
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ ERBB3 P21860 2/20 0.38
▸ EPAS1 Q99814 2/20 0.38

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
SCHEMBL22453545 0.88 HPGD (0.52) HIF1AHPGDMAPK1RECQLSLC2A1
SCHEMBL22452974 0.86 HIF1A (0.53) HIF1ANPC1EPAS1
SCHEMBL22453416 0.82 HIF1A (0.42) HIF1AHPGDMAPK1RECQLSLC2A1
SCHEMBL22452572 0.80 MAPT (0.45) HIF1AHPGDMAPK1RECQLMEN1
SCHEMBL22453411 0.80 SYK (0.39) HIF1AHPGDMAPK1RECQLRAB9A
SCHEMBL22453142 0.80 EPHX2 (0.40) HIF1AHPGDMAPK1RECQLNPC1
SCHEMBL22453603 0.78 HIF1A (0.43) HIF1ANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22453555 0.77 HIF1A (0.44) HIF1ANPC1ALDH1A1EPAS1MAPT
SCHEMBL22453836 0.77 HIF1A (0.45) HIF1AJAK2TYK2EPAS1
SCHEMBL22453106 0.76 EPHX2 (0.39) HIF1AMAPK1NPC1RAB9AMEN1

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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