SCHEMBL4755012

SCHEMBL4755012

NCc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.50
TRPC3 Q13507 3/20 0.48
ORAI1 Q96D31 3/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 3/20 0.44
PTGS1 P23219 3/20 0.44
TRPC1 P48995 1/20 0.44
STIM1 Q13586 1/20 0.44
PDPK1 O15530 3/20 0.43
TRPC5 Q9UL62 1/20 0.43
TP53 P04637 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 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
SCHEMBL7243543 0.88 PDPK1 (0.46) TRPC3ORAI1KDM4EL3MBTL1PTGS2
SCHEMBL31625145 0.87 KLKB1 (0.48) KLKB1TRPC3ORAI1PTGS2PTGS1
SCHEMBL31625143 0.87 KLKB1 (0.48) KLKB1TRPC3ORAI1PTGS2PTGS1
SCHEMBL3558495 0.84 PTGS2 (0.56) TRPC3ORAI1KDM4EL3MBTL1PTGS2
SCHEMBL18865512 0.83 KLKB1 (0.49) KLKB1ORAI1PTGS2PTGS1STIM1
SCHEMBL18865505 0.83 CYP1A2 (0.44) KLKB1TRPC3KDM4EPTGS2PTGS1
SCHEMBL3277337 0.82 PTGS2 (0.55) TRPC3ORAI1KDM4EL3MBTL1PTGS2
SCHEMBL31546278 0.81 PTGS2 (0.50) KLKB1PTGS2PTGS1PDPK1CYP2C9
Hydrochloric Acid SCHEMBL27618956 0.81 PTGS2 (0.65) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL18865753 0.80 PTGS2 (0.49) KLKB1PTGS2PTGS1CYP2C9

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
WO-2008148836-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed
WO-2008148836-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed