SCHEMBL7486455

SCHEMBL7486455

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
P2RY14 Q15391 9/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
CSNK1D P48730 1/20 0.38
IL6 P05231 1/20 0.38
STAT3 P40763 1/20 0.38
MAPT P10636 1/20 0.37
PDGFRB P09619 1/20 0.36
FLT4 P35916 1/20 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
SCHEMBL7427423 0.93 P2RY14 (0.43) HDAC6P2RY14MEN1KMT2AUSP2
SCHEMBL7534769 0.90 HDAC6 (0.41) HDAC6P2RY14MEN1KMT2AUSP2
SCHEMBL6598330 0.82 P2RY14 (0.49) HDAC6P2RY14MEN1KMT2AUSP2
SCHEMBL7425793 0.81 P2RY14 (0.38) HDAC6P2RY14MEN1KMT2AUSP2
SCHEMBL6595168 0.79 P2RY14 (0.49) HDAC6P2RY14MEN1KMT2AUSP2
SCHEMBL6165216 0.76 IL6 (0.42) HDAC6P2RY14MEN1KMT2ACSNK1D
SCHEMBL6165223 0.76 IL6 (0.42) HDAC6P2RY14MEN1KMT2ACSNK1D
SCHEMBL6594493 0.76 HDAC6 (0.52) HDAC6P2RY14MEN1KMT2AIL6
SCHEMBL6597550 0.76 KDR (0.49) P2RY14MEN1KMT2AUSP2IL6
SCHEMBL7657273 0.75 EPHX2 (0.49) HDAC6P2RY14MEN1KMT2AUSP2

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