SCHEMBL22452801

SCHEMBL22452801

O=C(Cc1ccc(Nc2ncccc2C(=O)O)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.48
KMT2A Q03164 5/20 0.47
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HIF1A Q16665 3/20 0.47
EPAS1 Q99814 2/20 0.47
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TEAD4 Q15561 1/20 0.44
TEAD2 Q15562 1/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
CNR2 P34972 1/20 0.42
EPHX2 P34913 3/20 0.42

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
SCHEMBL22453765 0.90 CNR2 (0.57) KMT2ARAB9AMEN1SMN1; SMN2HIF1A
SCHEMBL22452798 0.89 DHODH (0.48) DHODHKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL22452809 0.88 DHODH (0.54) DHODHKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL22453240 0.85 DHODH (0.54) DHODHKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL22452680 0.81 HIF1A (0.64) KMT2AMEN1SMN1; SMN2HIF1AEPAS1
SCHEMBL22452477 0.80 DHODH (0.50) DHODHKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL22452494 0.80 MEN1 (0.52) DHODHKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL22452749 0.80 SERPINE1 (0.52) DHODHKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL22452701 0.80 HIF1A (0.49) DHODHKMT2ARAB9AMEN1SMN1; SMN2
SCHEMBL22453248 0.80 DHODH (0.49) DHODHKMT2ARAB9AMEN1SMN1; SMN2

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