SCHEMBL6610366

SCHEMBL6610366

COc1ccc(Br)c2oc(N3CCOCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.43
PRKDC P78527 6/20 0.42
PIK3CA P42336 2/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 2/20 0.39
P2RY12 Q9H244 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PIK3CB P42338 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
XRCC6 P12956 1/20 0.39
XRCC5 P13010 1/20 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
SCHEMBL6610914 0.89 ALDH1A1 (0.42) PIK3CDKDM4EKMT2ALMNAMAPT
SCHEMBL6611419 0.88 ALDH1A1 (0.47) HTTKDM4EKMT2ALMNAMAPT
SCHEMBL6612726 0.84 PIK3CB (0.44) PIK3CDPRKDCPIK3CAKDM4EKMT2A
SCHEMBL6611735 0.80 PIK3CD (0.42) PIK3CDPRKDCPIK3CAHTTKDM4E
SCHEMBL6611302 0.80 GAA (0.43) PIK3CDPRKDCPIK3CAKMT2AMAPT
SCHEMBL21487020 0.73 MAPT (0.37) KDM4EMAPTALDH1A1HSD17B10ADORA2A
SCHEMBL21487550 0.73 HCRTR1 (0.36) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL6172641 0.73 TP53 (0.61) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6612197 0.73 PIK3CD (0.34) PIK3CDPIK3CAPIK3CB
SCHEMBL22439098 0.72 NQO2 (0.49) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261605-B1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2004-11-10 EP disclosed
EP-1261605-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-04 EP disclosed
US-6403791-B1 TREATMENT OF INFLAMMATORY DISEASES OR AUTOIMMUNE DISEASES IN HUMANS OR ANIMALS DARWIN DISCOVERY, LTD. (GB) 2002-06-11 US disclosed
WO-2001058896-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO disclosed