SCHEMBL29856320

SCHEMBL29856320

COc1ccc(C(=O)c2cn(C)c3cnccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NTRK1 P04629 3/20 0.44
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
CNR2 P34972 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALOX15 P16050 2/20 0.43
NFATC1 O95644 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL29856145 0.85 POLB (0.51) POLBNTRK1HTTMAPTCNR2
SCHEMBL10645570 0.81 POLB (0.73) POLBHTTNPSR1MAPTKMT2A
SCHEMBL12486373 0.76 DYRK1A (0.53) POLBNTRK1MAPTCNR2NFATC1
SCHEMBL29856428 0.76 NTRK1 (0.46) POLBNTRK1CNR2NFATC1GSK3B
SCHEMBL29856369 0.76 SLC22A12 (0.48) POLBNTRK1NPSR1MAPTCNR2
SCHEMBL29856335 0.76 NTRK1 (0.40) POLBNTRK1MAPTCNR2NFATC1
SCHEMBL22558992 0.75 DYRK1A (0.51) POLBNTRK1HTTNPSR1MAPT
SCHEMBL31022899 0.75 DYRK1A (0.51) POLBNTRK1HTTNPSR1MAPT
SCHEMBL20223640 0.72 DYRK1A (0.49) POLBNTRK1HTTNPSR1MAPT
SCHEMBL31720261 0.72 CYP11B1 (0.52) CYP11B1CYP11B2HTTNPSR1MAPT

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