SCHEMBL6653582

SCHEMBL6653582

CCNC(=O)c1cccnc1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 1/20 0.56
P2RX7 Q99572 1/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 3/20 0.45
KMT2A Q03164 2/20 0.44
RIPK1 Q13546 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MEN1 O00255 1/20 0.44
EGLN1 Q9GZT9 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NSD2 O96028 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
SCHEMBL164540 0.83 CHIA (0.56) CHIAP2RX7LMNAL3MBTL1KDM4E
SCHEMBL5418289 0.83 P2RX7 (0.70) CHIAP2RX7LMNAL3MBTL1KDM4E
SCHEMBL14284671 0.82 P2RX7 (0.44) CHIAP2RX7LMNAKDM4EHPGD
SCHEMBL4600712 0.82 NAAA (0.65) LMNAL3MBTL1KDM4EHTTHPGD
SCHEMBL13687262 0.81 NAPRT (0.56) CHIAP2RX7LMNAL3MBTL1KDM4E
SCHEMBL30267808 0.81 CHIA (0.55) CHIAP2RX7LMNAL3MBTL1KDM4E
SCHEMBL29520153 0.81 PRKCI (0.58) CHIAP2RX7L3MBTL1KDM4EHPGD
SCHEMBL13973141 0.81 PRKCI (0.58) CHIAP2RX7L3MBTL1KDM4EHPGD
SCHEMBL13702282 0.81 SMN1; SMN2 (0.59) CHIALMNAHTTHPGDKMT2A
SCHEMBL27923137 0.81 CHIA (0.55) CHIAP2RX7LMNAL3MBTL1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080081-B1 BENZOFUROXAN DERIVATIVES AND THEIR USE IN TREATING ANGINA PECTORIS TORRENT PHARMACEUTICALS LTD (IN) 2004-06-30 EP disclosed
US-6248895-B1 USED FOR CARDIOVASCULAR DISORDERS TORRENT PHARMACEUTICALS LTD. (IN) 2001-06-19 US disclosed