SCHEMBL436994

SCHEMBL436994

Nc1c(C(=O)O)cnc2c(F)ccc(F)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 1/20 0.48
BTK Q06187 2/20 0.44
MAPT P10636 3/20 0.42
FYN P06241 1/20 0.41
SRC P12931 1/20 0.41
TEC P42680 1/20 0.41
ITK Q08881 1/20 0.41
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 2/20 0.40
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38

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
SCHEMBL6198912 0.81 MAPT (0.43) HAVCR2MAPTKDM4EKMT2AASPH
SCHEMBL436633 0.78 HAVCR2 (0.68) HAVCR2BTKKDM4EKMT2AASPH
SCHEMBL436943 0.78 HAVCR2 (0.56) HAVCR2BTKMAPTKDM4EKMT2A
SCHEMBL28902617 0.75 BTK (0.51) HAVCR2BTKMAPTFYNSRC
SCHEMBL438132 0.73 GABRP (0.49) HAVCR2BTKMAPTKDM4EKMT2A
SCHEMBL440068 0.73 HAVCR2 (0.63) HAVCR2MAPTKDM4EKMT2AGABRP
SCHEMBL439646 0.72 HAVCR2 (0.32) HAVCR2BTK
SCHEMBL438931 0.71 HAVCR2 (0.49) HAVCR2KDM4EKMT2AASPHKDM8
SCHEMBL442311 0.71 KDM4E (0.40) HAVCR2KDM4EKMT2AASPHKDM8
SCHEMBL26167963 0.70 HAVCR2 (0.54) HAVCR2MAPTKDM4EKMT2AASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed