SCHEMBL29314367

SCHEMBL29314367

COP(OCC(=O)O)c1ccc(Nc2cnc(N)c(NCc3ccc4ncccc4c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.38
KDR P35968 10/20 0.37
NPC1 O15118 1/20 0.36
NAMPT P43490 1/20 0.35
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
HDAC4 P56524 1/20 0.35
EP300 Q09472 1/20 0.35
MEF2D Q14814 1/20 0.35
ALOX5 P09917 1/20 0.35
HDAC3 O15379 1/20 0.35
NOTUM Q6P988 1/20 0.34
DHFR P00374 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL29314497 0.91 HDAC6 (0.41) HDAC6KDRNPC1KLKB1KLK1
SCHEMBL29317471 0.83 NPC1 (0.43) HDAC6KDRNPC1KLKB1KLK1
SCHEMBL29314617 0.82 NPC1 (0.38) HDAC6KDRNPC1KLKB1KLK1
SCHEMBL29314302 0.80 NPC1 (0.43) HDAC6KDRNPC1KLKB1KLK1
SCHEMBL29314483 0.79 KDR (0.35) KDRNPC1HDAC3
SCHEMBL21167629 0.78 NPC1 (0.44) HDAC6KDRNPC1KLKB1KLK1
SCHEMBL21167442 0.78 PIK3CA (0.42) HDAC6KDRNPC1DHFR
SCHEMBL21167454 0.78 NPC1 (0.44) HDAC6KDRNPC1KLKB1KLK1
SCHEMBL29314533 0.77 ALOX5 (0.39) HDAC6NPC1KLKB1KLK1HDAC4
SCHEMBL21167640 0.77 KLKB1 (0.46) HDAC6KDRNPC1KLKB1KLK1

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
EP-3893872-B1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2024-07-17 EP disclosed