SCHEMBL29337098

SCHEMBL29337098

CC(N)Cc1ccnn1C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 5/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 2/20 0.38
SLC6A4 P31645 2/20 0.38
MAOA P21397 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KCNH2 Q12809 2/20 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
SCHEMBL12786644 0.83 KMT2A (0.42) KMT2AL3MBTL1KCNH2
SCHEMBL20738685 0.82 KMT2A (0.41) KMT2AL3MBTL1KCNH2
SCHEMBL17791881 0.77 SLC1A3 (0.47) KMT2AL3MBTL1
SCHEMBL8462131 0.74 KMT2A (0.39) KMT2AL3MBTL1KCNH2
SCHEMBL458565 0.74
SCHEMBL1356569 0.73 KMT2A (0.46) KMT2AL3MBTL1
SCHEMBL24169103 0.72 TLR7 (0.41) KMT2AL3MBTL1KCNH2
SCHEMBL256680 0.72
SCHEMBL25156787 0.72
SCHEMBL13476170 0.71

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-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed