SCHEMBL28061629

SCHEMBL28061629

CCNC(=O)c1cc[c]cc1CN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
BRD4 O60885 2/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTK2 Q05397 1/20 0.34
CA2 P00918 3/20 0.33
CA4 P22748 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CHIA Q9BZP6 1/20 0.32
KLKB1 P03952 1/20 0.32
KLK1 P06870 1/20 0.32
CXCR2 P25025 1/20 0.32
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL27547370 0.78 HSD17B1 (0.34) LMNAKDM4EALDH1A1
SCHEMBL27640843 0.78 SMN1; SMN2 (0.34) KMT2AL3MBTL1HPGDCXCR2ADRA1D
SCHEMBL743868 0.78 LMNA (0.41) LMNABRD4KMT2AL3MBTL1HDAC4
SCHEMBL27914881 0.78 LOXL2 (0.42) LMNAKMT2ACA2HPGDTSHR
SCHEMBL8254177 0.77 L3MBTL1 (0.53) LMNABRD4KMT2AL3MBTL1HDAC1
SCHEMBL27547427 0.76 HMGB1 (0.36) KMT2ATSHRKDM4EALDH1A1
SCHEMBL27678713 0.76 GAA (0.41) KMT2ACA2CA4HTTCA1
SCHEMBL28056920 0.76 SMYD3 (0.40) LMNAHPGDHTTKDM4EALDH1A1
SCHEMBL6625604 0.74 LMNA (0.38) LMNABRD4KMT2AL3MBTL1HDAC4
SCHEMBL29066672 0.74 LMNA (0.44) LMNABRD4KMT2AL3MBTL1HPGD

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-103370318-B The Imidazopyridazine replaced BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-20 CN disclosed