SCHEMBL437125

SCHEMBL437125

Cc1cc(N)c2cccc(OC(F)(F)F)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.55
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
NCF1 P14598 1/20 0.45
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
MPL P40238 1/20 0.38
SCN9A Q15858 3/20 0.37
GFER P55789 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
PSMD14 O00487 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3046111 0.82 MAPT (0.51) NR4A2MAPTHPGD
SCHEMBL437287 0.81 NR4A2 (0.61) NR4A2KDM4ETDP1NCF1GFER
SCHEMBL437914 0.80 CTSS (0.41) ADORA2AADORA1MPL
SCHEMBL439735 0.74 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1ADORA2A
SCHEMBL438224 0.74 NR4A2 (0.69) NR4A2KDM4ETDP1NCF1ALDH1A1
SCHEMBL16106553 0.73 MEN1 (0.54) KDM4ELMNAHTTRAB9ASMN1; SMN2
SCHEMBL439824 0.71 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1ADORA1
SCHEMBL438980 0.71 NR4A2 (1.00) NR4A2KDM4ETDP1NCF1ALDH1A1
SCHEMBL5243405 0.71 NR4A2 (0.65) NR4A2KDM4ETDP1NCF1ALDH1A1
SCHEMBL3954235 0.71 ADORA2A (0.47) KDM4ETDP1ADORA2AALDH1A1CASP1

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