SCHEMBL8686235

SCHEMBL8686235

c1coc(-c2cc3[nH]ccn3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.46
PARP1 P09874 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 2/20 0.42
PDE10A Q9Y233 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
RECQL P46063 4/20 0.39
KDM4E B2RXH2 4/20 0.39
CTDSP1 Q9GZU7 3/20 0.39
POLB P06746 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MCL1 Q07820 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 2/20 0.39

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
SCHEMBL2265845 0.75 PARP1 (0.42) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2749356 0.69 APOBEC3A (0.46) PTGS1MEN1KMT2AALDH1A1ADORA2A
SCHEMBL8684135 0.69 PARP1 (0.45) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL8684094 0.68 SMN1; SMN2 (0.42) PARP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL23998612 0.68 PTGS1 (0.44) PTGS1MEN1KMT2AALDH1A1ADORA2A
SCHEMBL23998402 0.67 PTGS1 (0.50) PTGS1ALDH1A1ADORA2AADORA2BADORA1
SCHEMBL23998453 0.67 PTGS1 (0.44) PTGS1MEN1KMT2AADORA2AADORA2B
SCHEMBL8684341 0.66 IDO1 (0.48) ALDH1A1KDM4ETDP1
SCHEMBL8684139 0.65 RAD51 (0.39) PTGS2
SCHEMBL23998389 0.64 KDM4E (0.49) PTGS1MEN1KMT2AALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723481-A ANTIULCER AGENTS AND 5-LIPOXYGENASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1998-03-03 US disclosed
US-5698576-A POSSESS ANTI-ULCER AND 5-LIPOXYGENASE INHIBITORY ACTIVITIES SANKYO COMPANY, LIMITED (JP) 1997-12-16 US disclosed
US-5665752-A LIPOXYGENASE INHIBITORS SANKYO COMPANY, LIMITED (JP) 1997-09-09 US disclosed
US-5354768-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY, LIMITED (JP) 1994-10-11 US disclosed
EP-0353047-B1 Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO CO (JP) 1994-10-05 EP disclosed
US-5232939-A Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents SANKYO COMPANY LIMITED (JP) 1993-08-03 US disclosed
EP-0353047-A2 Use of imidazopyrazole derivatives as analgesics and anti-inflammatory agents Sankyo Company Limited (JP) 1990-01-31 EP disclosed