SCHEMBL23291963

SCHEMBL23291963

Cc1nc(-c2ccc(CCC(N)=O)cc2)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
KLF5 Q13887 1/20 0.55
PLK1 P53350 1/20 0.54
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
P2RX3 P56373 1/20 0.48
FFAR1 O14842 6/20 0.48
SMYD3 Q9H7B4 1/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9971549 0.80 S1PR1 (0.54) RAB9ASMN1; SMN2TP53PLK1CA12
SCHEMBL19941493 0.80 CA12 (0.54) RAB9ASMN1; SMN2TP53PLK1CA12
SCHEMBL26103668 0.80 HDAC6 (0.62)
SCHEMBL14393799 0.79 RAB9A (0.52) RAB9ASMN1; SMN2TP53PLK1CA12
SCHEMBL5843831 0.79 PLK1 (0.67) RAB9ASMN1; SMN2TP53PLK1CA12
SCHEMBL17316313 0.78 LMNA (0.56) RAB9ASMN1; SMN2TP53PLK1CA12
SCHEMBL7074248 0.78 PLK1 (0.57) RAB9APLK1CA12CA1CA2
SCHEMBL8792955 0.77 PLK1 (0.65) RAB9ASMN1; SMN2TP53PLK1CA12
SCHEMBL856937 0.77 PLK1 (0.55) RAB9ASMN1; SMN2TP53PLK1CA12
SCHEMBL15307622 0.77 L3MBTL1 (0.58) RAB9ASMN1; SMN2TP53PLK1CA12

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-3814343-A1 CARDIAC SARCOMERE INHIBITORS Cytokinetics, Inc. (US) 2021-05-05 EP disclosed