SCHEMBL2425564

SCHEMBL2425564

O=C(O)c1cnc2c(c1)C=NCN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.36
NNMT P40261 2/20 0.36
P4HA1 P13674 3/20 0.34
P4HTM Q9NXG6 2/20 0.34
MIF P14174 1/20 0.33
HCAR2 Q8TDS4 4/20 0.33
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4A O75164 2/20 0.33
KDM5C P41229 2/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
KDM3A Q9Y4C1 2/20 0.33
LMNA P02545 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33

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
SCHEMBL27604301 0.72 KDM4E (0.44) P4HA1MIFKDM4EALDH1A1KDM4A
SCHEMBL29687112 0.69 KDM4E (0.41) P4HA1MIFKDM4EALDH1A1KDM4A
SCHEMBL28318621 0.69 KDM4E (0.41) P4HA1MIFKDM4EALDH1A1KDM4A
SCHEMBL29712705 0.68 NNMT (0.49) MGAMNNMTP4HA1P4HTMMIF
SCHEMBL16168388 0.68 NNMT (0.41) MGAMNNMTP4HA1P4HTMMIF
SCHEMBL25789801 0.68 NNMT (0.49) MGAMNNMTP4HA1P4HTMMIF
SCHEMBL28617969 0.67 NNMT (0.47) MGAMNNMTP4HA1P4HTMMIF
SCHEMBL1680658 0.67 NNMT (0.73) MGAMNNMTP4HA1P4HTMMIF
SCHEMBL29686931 0.66 NNMT (0.40) MGAMNNMTP4HA1P4HTMMIF
SCHEMBL5306512 0.65 NNMT (0.75) MGAMNNMTP4HA1P4HTMKDM4E

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
US-8012995-B1 Pharmaceutically active sulfonamide derivatives MERCK SERONO SA (CH) 2011-09-06 US disclosed