SCHEMBL22453571

SCHEMBL22453571

Cc1cc(Oc2ccc(C3CCCCC3)cc2Cl)ncc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
PPARA Q07869 4/20 0.37
BACE1 P56817 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
CYP2D6 P10635 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL22453733 0.80 LMNA (0.39) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL21572358 0.74 KMT2A (0.48) SLC6A2SLC6A4SLC6A3KDM4EKMT2A
SCHEMBL22452618 0.74 LMNA (0.38) PPARGPPARABACE1SLC6A2SLC6A4
SCHEMBL22452911 0.73 MAPK10 (0.44) PPARGPPARAKDM4EPOLBGLA
SCHEMBL22453697 0.72 PDE7A (0.48) PPARGPPARABACE1SLC6A2SLC6A4
SCHEMBL4060269 0.72 CYP3A4 (0.55) SLC6A2SLC6A4SLC6A3KMT2ASMN1; SMN2
SCHEMBL3786337 0.69 SLC6A2 (0.49) BACE1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL790114 0.69 BACE1 (0.47) BACE1TDP1
SCHEMBL27544170 0.67 PPARG (0.51) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL3781164 0.67 SLC6A2 (0.50) BACE1SLC6A2SLC6A4SLC6A3KCNH2

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