SCHEMBL29856145

SCHEMBL29856145

Cn1cc(C(=O)c2ccc(O)cc2)c2ccncc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
NTRK1 P04629 1/20 0.46
DYRK1A Q13627 2/20 0.46
NFATC1 O95644 1/20 0.46
GSK3B P49841 1/20 0.46
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
MAPT P10636 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
LIG1 P18858 1/20 0.37
NR4A2 P43354 2/20 0.37
PDPK1 O15530 1/20 0.37

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
SCHEMBL29856320 0.85 POLB (0.48) POLBNTRK1DYRK1ANFATC1GSK3B
SCHEMBL29856369 0.82 SLC22A12 (0.48) POLBNTRK1DYRK1ANFATC1GSK3B
SCHEMBL29856428 0.82 NTRK1 (0.46) POLBNTRK1DYRK1ANFATC1GSK3B
SCHEMBL12486373 0.79 DYRK1A (0.53) POLBNTRK1DYRK1ANFATC1GSK3B
SCHEMBL22558992 0.78 DYRK1A (0.51) POLBNTRK1DYRK1ANFATC1GSK3B
SCHEMBL31022899 0.78 DYRK1A (0.51) POLBNTRK1DYRK1ANFATC1GSK3B
SCHEMBL29856503 0.76 ADORA3 (0.44) POLBMAPTESR1ESR2LMNA
SCHEMBL20223640 0.75 DYRK1A (0.49) POLBNTRK1DYRK1ANFATC1GSK3B
SCHEMBL29856313 0.74 DYRK1A (0.55) NTRK1DYRK1AGSK3BCNR2CNR1
SCHEMBL29856214 0.72 KDM5A (0.40) MAPTESR1ESR2LMNAPKM

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed