SCHEMBL1246534

SCHEMBL1246534

Nc1[nH]ncc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
MAPT P10636 3/20 0.56
PIK3CA P42336 1/20 0.52
ILK Q13418 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.47
KIF11 P52732 2/20 0.47
EPHX2 P34913 1/20 0.46
NPBWR1 P48145 1/20 0.44
GAA P10253 1/20 0.44
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
TGFBR1 P36897 1/20 0.43
METAP2 P50579 2/20 0.42
PDE2A O00408 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
SCHEMBL17730627 0.98 LMNA (0.58) LMNAMAPTPIK3CAILKTDP1
SCHEMBL17730822 0.86 LMNA (0.53) LMNAMAPTPIK3CAILKKDM4E
SCHEMBL24630701 0.82 MAPT (0.60) LMNAMAPTPIK3CATDP1KDM4E
SCHEMBL102979 0.80 EPHX2 (0.58) LMNAILKKDM4EEPHX2GAA
SCHEMBL17731303 0.80 ILK (0.57) PIK3CAILKKDM4ETGFBR1
SCHEMBL3472474 0.79 LMNA (0.66) LMNAMAPTPIK3CAILKTDP1
SCHEMBL16534777 0.77 LMNA (0.68) LMNAMAPTTDP1KDM4EEPHX2
SCHEMBL1248084 0.76 LMNA (0.66) LMNAMAPTPIK3CATDP1KDM4E
SCHEMBL1245491 0.76 LMNA (0.66) LMNAMAPTTDP1KDM4EGAA
SCHEMBL15020489 0.76 MAPT (0.66) LMNAMAPTTDP1KDM4EGAA

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
WO-2011014520-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-02-03 WO disclosed