SCHEMBL1662624

SCHEMBL1662624

O=C(O)c1nn2c(C(F)(F)F)cc(OC(F)F)cc2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ PKM P14618 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ TTR P02766 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RORC P51449 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
SCHEMBL1663539 0.86 MAPT (0.36) MAPTPKMALDH1A1KDM4ELMNA
SCHEMBL1663480 0.81 MAPT (0.43) MAPTPKMALDH1A1KDM4ETTR
SCHEMBL1662704 0.78 MAPT (0.44) MAPTALDH1A1KDM4ETTRUSP2
SCHEMBL1663210 0.78 MAPT (0.44) MAPTPKMALDH1A1KDM4ETTR
SCHEMBL1663125 0.76 ALDH1A1 (0.40) MAPTALDH1A1KDM4EKMT2ACASP1
SCHEMBL1665603 0.76 MAPT (0.45) MAPTPKMALDH1A1KDM4ETTR
SCHEMBL1663471 0.76 MAPT (0.45) MAPTPKMALDH1A1KDM4ETTR
SCHEMBL3649415 0.76 MAPT (0.47) MAPTALDH1A1KDM4ETTRUSP2
SCHEMBL1662566 0.74 MAPT (0.41) MAPTPKMALDH1A1KDM4ETTR
SCHEMBL1664902 0.74 P2RX7 (0.41) ALDH1A1USP2CASP1GAACASP7

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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