SCHEMBL7469295

SCHEMBL7469295

O=C(O)C=Cc1cnc(C2CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.49
RAB9A P51151 2/20 0.44
HCAR2 Q8TDS4 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
CA12 O43570 2/20 0.40
AKR1B10 O60218 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL7469291 1.00 P4HTM (0.49) P4HTMRAB9AHCAR2HDAC4HDAC3
SCHEMBL6231015 0.78 CA12 (0.51) RAB9AHCAR2CA12CA1CA2
SCHEMBL6231016 0.78 CA12 (0.51) RAB9AHCAR2CA12CA1CA2
SCHEMBL1124047 0.73 P4HTM (0.55) P4HTMRAB9AHCAR2HDAC4HDAC3
SCHEMBL4227326 0.73 P4HTM (0.55) P4HTMRAB9AHCAR2HDAC4HDAC3
SCHEMBL1093070 0.73 P4HTM (0.55) P4HTMRAB9AHCAR2HDAC4HDAC3
SCHEMBL4227332 0.73 P4HTM (0.55) P4HTMRAB9AHCAR2HDAC4HDAC3
SCHEMBL1093071 0.73 P4HTM (0.55) P4HTMRAB9AHCAR2HDAC4HDAC3
SCHEMBL1124046 0.73 P4HTM (0.55) P4HTMRAB9AHCAR2HDAC4HDAC3
SCHEMBL1714095 0.71 HCAR3 (0.46) P4HTMHCAR2HDAC4KDM4ESMN1; SMN2

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-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed