SCHEMBL437620

SCHEMBL437620

Nc1c(Br)cnc2c(OC(F)(F)F)cccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
TNF P01375 1/20 0.38
LITAF Q99732 1/20 0.38
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
MPL P40238 1/20 0.35
SCN9A Q15858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
TRPA1 O75762 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DCPS Q96C86 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
IGF1R P08069 1/20 0.31

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
SCHEMBL437559 0.82 HAVCR2 (0.40) ALOX5APFEN1TNFLITAFADORA2A
SCHEMBL435849 0.80 HTR1A (0.44) MCHR1
SCHEMBL440370 0.77 PARP1 (0.45)
SCHEMBL442133 0.76 BACE1 (0.41) ADORA1HAVCR2
SCHEMBL29828879 0.75 PI4KA (0.42) ALOX5APFEN1TNFLITAFADORA2A
SCHEMBL435823 0.74 PARP1 (0.41) ALOX5APFEN1HAVCR2
SCHEMBL29233308 0.73 TNF (0.39) ALOX5APFEN1TNFLITAFADORA2A
SCHEMBL4657366 0.72 MPL (0.40) ALOX5APFEN1MPLSCN9AKDM4E
SCHEMBL441951 0.71 HAVCR2 (0.58) KDM4EHAVCR2IGF1R
SCHEMBL441701 0.71 ALDH1A1 (0.43) KDM4EHAVCR2

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