SCHEMBL1663258

SCHEMBL1663258

COC(=O)c1nn2c(C(F)(F)F)cccc2c1C(F)(F)CCl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ELANE P08246 5/20 0.37
▸ F2 P00734 2/20 0.37
▸ PLAU P00749 2/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL1664651 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL25372714 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL22148316 0.68 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1663023 0.68 HTR3A (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1662930 0.67 KDM4E (0.36) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL18366709 0.67 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1663228 0.67 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1663371 0.67 EGFR (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
Methane SCHEMBL1664900 0.66 MCL1 (0.39) ELANEF2PLAU
SCHEMBL1663213 0.66 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E

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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