SCHEMBL30587649

SCHEMBL30587649

O=C(O)c1ncn(Cc2cccc(F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR4A2 P43354 2/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGER4 P35408 2/20 0.42
PTGER2 P43116 1/20 0.42
P2RY14 Q15391 1/20 0.42
HCAR2 Q8TDS4 2/20 0.42
KDM5A P29375 1/20 0.42

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
SCHEMBL18366899 1.00 KDM4C (0.49) KDM4CL3MBTL1HDAC1HDAC6NPC1
SCHEMBL22737044 0.85 HDAC1 (0.46) KDM4CHDAC1HDAC6PTGER4PTGER2
SCHEMBL18366896 0.84 L3MBTL1 (0.47) L3MBTL1HDAC1HDAC6NPC1NFKB1
SCHEMBL30587599 0.84 L3MBTL1 (0.47) L3MBTL1HDAC1HDAC6NPC1NFKB1
SCHEMBL1414358 0.84 KLKB1 (0.49) HDAC1HDAC6RIPK1
SCHEMBL30092734 0.83 HDAC1 (0.49) KDM4CL3MBTL1HDAC1HDAC6NR4A2
SCHEMBL18366879 0.83 HDAC1 (0.49) KDM4CL3MBTL1HDAC1HDAC6NR4A2
SCHEMBL18366892 0.82 HDAC1 (0.53) KDM4CHDAC1HDAC6NPC1RAB9A
SCHEMBL30092639 0.82 CACNA1G (0.51) HDAC1HDAC6SIGMAR1PTGER4P2RY14
SCHEMBL18366425 0.82 CACNA1G (0.51) HDAC1HDAC6SIGMAR1PTGER4P2RY14

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
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed