SCHEMBL22452701

SCHEMBL22452701

O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(Nc2ncccc2C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.49
EPAS1 Q99814 4/20 0.49
SERPINE1 P05121 2/20 0.48
DHODH Q02127 5/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
GMNN O75496 1/20 0.47
TTR P02766 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
UGT1A1 P22309 1/20 0.47

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 0.90 DHODH (0.54) HIF1AEPAS1SERPINE1DHODHMEN1
SCHEMBL22453543 0.90 CNR2 (0.53) HIF1AEPAS1MEN1KMT2AMAPT
SCHEMBL22452767 0.88 SERPINE1 (0.58) HIF1AEPAS1SERPINE1DHODHMEN1
SCHEMBL22452768 0.85 SERPINE1 (0.52) HIF1AEPAS1SERPINE1DHODHMEN1
SCHEMBL22452809 0.85 DHODH (0.54) HIF1AEPAS1DHODHMEN1KMT2A
SCHEMBL22453316 0.85 DHODH (0.56) HIF1ASERPINE1DHODHMEN1KMT2A
SCHEMBL22452690 0.84 SIRT2 (0.57) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22452682 0.84 DHODH (0.56) HIF1ASERPINE1DHODHMEN1KMT2A
SCHEMBL22453034 0.84 HIF1A (0.61) HIF1AEPAS1SERPINE1MEN1KMT2A
SCHEMBL22453009 0.83 DHODH (0.54) HIF1ASERPINE1DHODHMEN1KMT2A

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