SCHEMBL22452809

SCHEMBL22452809

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.54
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
EPHX2 P34913 3/20 0.52
NPC1 O15118 4/20 0.50
ALDH1A1 P00352 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.47
HIF1A Q16665 2/20 0.47
EPAS1 Q99814 1/20 0.47
CNR2 P34972 1/20 0.44
MAPK1 P28482 2/20 0.43
PKM P14618 2/20 0.42
GMNN O75496 1/20 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
SCHEMBL22453240 0.91 DHODH (0.54) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452622 0.89 CNR2 (0.60) MEN1KMT2ARAB9AEPHX2NPC1
SCHEMBL22452801 0.88 DHODH (0.48) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452798 0.88 DHODH (0.48) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452494 0.85 MEN1 (0.52) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452477 0.85 DHODH (0.50) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452749 0.85 SERPINE1 (0.52) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452701 0.85 HIF1A (0.49) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22453248 0.85 DHODH (0.49) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL22452682 0.84 DHODH (0.56) DHODHMEN1KMT2ARAB9ASMN1; 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