SCHEMBL1662950

SCHEMBL1662950

O=C(O)c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1I

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ POLB P06746 4/20 0.33
▸ HSD17B10 Q99714 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ APP P05067 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PLAT P00750 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
SCHEMBL1662701 0.86 HPGD (0.42) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL1662566 0.85 MAPT (0.41) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL1662695 0.85 SMURF2 (0.37) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL1662841 0.82 MAPT (0.39) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL1663047 0.75 HPGD (0.41) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL1663263 0.75 HPGD (0.41) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL1662708 0.74 HPGD (0.40) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL1662501 0.74 HPGD (0.42) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL1662585 0.73 KDM4E (0.44) HPGDGAASMN1; SMN2MAPTKDM4E
SCHEMBL1667525 0.70 SMURF2 (0.37) —

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-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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