SCHEMBL29638324

SCHEMBL29638324

COc1cccc(-n2[nH]c(=O)c3cnc(NC(=O)C4(O)CC4)cc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ELOVL1 Q9BW60 1/20 0.38
PLK1 P53350 1/20 0.38
PIK3CA P42336 1/20 0.37
PRKDC P78527 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ABL1 P00519 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL29638382 0.85 ABL1 (0.53) KDM4EABL1NPC1RAB9AGSK3B
SCHEMBL29638418 0.82 ABL1 (0.44) ALKBH5KDM4EABL1NPC1RAB9A
SCHEMBL24557271 0.79 SRC (0.46) ALKBH5PLK1PIK3CAPRKDCGABRA1
SCHEMBL29638496 0.79 SRC (0.46) ALKBH5PLK1PIK3CAPRKDCGABRA1
SCHEMBL24557279 0.79 MEN1 (0.42) ALKBH5HPGDPLK1PIK3CAPRKDC
SCHEMBL29638478 0.79 MEN1 (0.42) ALKBH5HPGDPLK1PIK3CAPRKDC
SCHEMBL24557282 0.77 POLB (0.42) ALKBH5HPGDPLK1PIK3CAPRKDC
SCHEMBL29638556 0.77 POLB (0.42) ALKBH5HPGDPLK1PIK3CAPRKDC
SCHEMBL29638400 0.77 LYN (0.42) ALKBH5KDM4EHPGDPLK1PIK3CA
SCHEMBL24557272 0.76 BTK (0.45) PLK1PIK3CAPRKDCMAPT

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-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed