SCHEMBL6558762

SCHEMBL6558762

Oc1cccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.60
TOP2A P11388 3/20 0.48
ADORA1 P30542 1/20 0.46
CDC7 O00311 1/20 0.46
HSD17B1 P14061 5/20 0.43
HSD17B2 P37059 4/20 0.43
LRRK2 Q5S007 2/20 0.43
ALOX5 P09917 1/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41

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
SCHEMBL24514813 0.88 IKBKB (0.47) PIK3CDTOP2ALRRK2IKBKBCHUK
SCHEMBL6941422 0.85 TOP2A (0.51) PIK3CDTOP2AADORA1LRRK2ALOX5
Benzene SCHEMBL28095234 0.84 IKBKB (0.53) TOP2ALRRK2IKBKBCHUKDAPK3
SCHEMBL28859500 0.84 IKBKB (0.53) TOP2ALRRK2IKBKBCHUKDAPK3
SCHEMBL28868 0.84 IKBKB (0.53) TOP2ALRRK2IKBKBCHUKDAPK3
SCHEMBL17125560 0.83 PIK3CA (0.54) PIK3CDTOP2ALRRK2IKBKBCHUK
SCHEMBL17125578 0.83 PIK3CA (0.49) PIK3CDTOP2ALRRK2IKBKBCHUK
SCHEMBL9448814 0.82 IKBKB (0.52) TOP2ALRRK2IKBKBCHUKDAPK3
SCHEMBL5341478 0.82 IKBKB (0.52) TOP2ALRRK2IKBKBCHUKDAPK3
Ammonia Solution, Strong SCHEMBL17396339 0.82 IKBKB (0.52) TOP2ALRRK2IKBKBCHUKDAPK3

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-1423691-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M Innovative Properties Company (US) 2004-06-02 EP disclosed
WO-2003019179-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-03-06 WO disclosed