SCHEMBL1662841

SCHEMBL1662841

COc1c(C(=O)O)nn2c(C(F)(F)F)cc(C3CC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ POLB P06746 4/20 0.37
▸ HPGD P15428 6/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CASP1 P29466 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ GAA P10253 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ APP P05067 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CASP7 P55210 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL1662708 0.90 HPGD (0.40) MAPTPOLBHPGDKDM4EALDH1A1
SCHEMBL1662695 0.84 SMURF2 (0.37) MAPTPOLBHPGDKDM4EALDH1A1
SCHEMBL1662950 0.82 HPGD (0.37) MAPTPOLBHPGDKDM4EALDH1A1
SCHEMBL1662566 0.82 MAPT (0.41) MAPTPOLBHPGDKDM4EALDH1A1
SCHEMBL1663047 0.79 HPGD (0.41) MAPTPOLBHPGDKDM4EALDH1A1
SCHEMBL1663263 0.79 HPGD (0.41) MAPTPOLBHPGDKDM4EALDH1A1
SCHEMBL1662701 0.78 HPGD (0.42) MAPTPOLBHPGDKDM4EALDH1A1
SCHEMBL1662501 0.78 HPGD (0.42) MAPTPOLBHPGDKDM4EALDH1A1
SCHEMBL1662760 0.77 P2RX7 (0.40) POLBHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL1664800 0.76 P2RX7 (0.35) POLBHPGDALDH1A1SMN1; SMN2CASP1

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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