SCHEMBL7427423

SCHEMBL7427423

C=CC(COc1cccc(NC(=O)Cc2ccc3nc(Nc4ccccc4)oc3c2)c1)CC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 4/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
USP2 O75604 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 1/20 0.39
PDGFRB P09619 1/20 0.38
FLT4 P35916 1/20 0.38
IL6 P05231 1/20 0.38
STAT3 P40763 1/20 0.38

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
SCHEMBL7486455 0.93 HDAC6 (0.42) P2RY14MEN1KMT2AUSP2HDAC6
SCHEMBL7534769 0.85 HDAC6 (0.41) P2RY14MEN1KMT2AUSP2HDAC6
SCHEMBL6595168 0.83 P2RY14 (0.49) P2RY14MEN1KMT2AUSP2HDAC6
SCHEMBL7425793 0.79 P2RY14 (0.38) P2RY14MEN1KMT2AUSP2HDAC6
SCHEMBL6598330 0.79 P2RY14 (0.49) P2RY14MEN1KMT2AUSP2HDAC6
SCHEMBL6595767 0.78 KDR (0.49) P2RY14MEN1KMT2AUSP2MAPT
SCHEMBL6594949 0.77 HDAC6 (0.50) P2RY14MEN1KMT2AUSP2HDAC6
SCHEMBL2438782 0.76 NPC1 (0.51) MEN1KMT2AUSP2HDAC6MAPT
SCHEMBL6597550 0.74 KDR (0.49) P2RY14MEN1KMT2AUSP2MAPT
SCHEMBL6162294 0.73 KMT2A (0.45) P2RY14MEN1KMT2AUSP2HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed