SCHEMBL6557994

SCHEMBL6557994

COc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
CKS1B P61024 1/20 0.52
SKP2 Q13309 1/20 0.52
ACACA Q13085 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
GLO1 Q04760 1/20 0.48
LMNA P02545 2/20 0.48
BACE1 P56817 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4867556 0.93 CLK4 (0.48) MAPTNPC1ALDH1A1RAB9AMEN1
SCHEMBL8655989 0.86 CCR1 (0.54) MAPTNPC1ALDH1A1RAB9ACKS1B
SCHEMBL10032425 0.86 IKBKB (0.52) ALDH1A1MEN1KMT2ACKS1BSKP2
SCHEMBL29284767 0.86 TLR8 (0.43) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL30964094 0.86 TLR8 (0.43) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL3289250 0.84 PIK3CA (0.53) CKS1BSKP2GLO1CLK4L3MBTL1
SCHEMBL28859500 0.84 IKBKB (0.53) ALDH1A1MEN1KMT2ACKS1BSKP2
Benzene SCHEMBL28095234 0.84 IKBKB (0.53) ALDH1A1MEN1KMT2ACKS1BSKP2
SCHEMBL28868 0.84 IKBKB (0.53) ALDH1A1MEN1KMT2ACKS1BSKP2
SCHEMBL16459275 0.83 CKS1B (0.47) MAPTNPC1ALDH1A1RAB9AMEN1

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-1423691-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M Innovative Properties Company (US) 2004-06-02 EP disclosed
US-6664111-B2 The detector is a solid polymeric matrix, e.g., siloxane, modified by a luminescent platinum group metal phenanthroline chelate complex which is quenchable by oxygen; blood and tissue samples; medical diagnosis; compact; lightweight 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030099574-A1 Fluorescence based oxygen sensor systems 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed
WO-2003019179-A1 FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-03-06 WO disclosed