SCHEMBL22453546

SCHEMBL22453546

COC(=O)c1cccnc1Nc1ccc(Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
DHODH Q02127 4/20 0.40
HIF1A Q16665 6/20 0.39
TOP1 P11387 1/20 0.38
EPAS1 Q99814 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL22453117 0.92 CNR2 (0.53) CNR2DHODHHIF1ATOP1EPAS1
SCHEMBL22453494 0.91 CNR2 (0.56) CNR2DHODHHIF1ATOP1EPAS1
SCHEMBL22453313 0.90 DHODH (0.48) DHODHHIF1AEPAS1MEN1KMT2A
SCHEMBL22452580 0.89 CNR2 (0.52) CNR2DHODHHIF1ATOP1EPAS1
SCHEMBL22453315 0.88 DHODH (0.47) DHODHHIF1AEPAS1MEN1KMT2A
SCHEMBL22453756 0.83 CNR2 (0.49) CNR2DHODHHIF1ATOP1EPAS1
SCHEMBL22452632 0.82 CNR2 (0.49) CNR2HIF1ATOP1EPAS1MEN1
SCHEMBL22453641 0.82 DHODH (0.55) DHODHHIF1AEPAS1MEN1KMT2A
SCHEMBL22452724 0.81 HIF1A (0.46) DHODHHIF1AEPAS1MEN1KMT2A
SCHEMBL22453640 0.80 DHODH (0.57) DHODHHIF1AEPAS1MEN1KMT2A

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