SCHEMBL1663127

SCHEMBL1663127

O=C(O)c1cc2cc(Br)cc(C(F)(F)F)n2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ TTR P02766 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 1/20 0.34
▸ LDHA P00338 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1663111 0.83 KDM4E (0.49) KDM4EHSD17B10ALDH1A1TTRAPOBEC3A
SCHEMBL3694603 0.78 KDM4E (0.61) KDM4EHSD17B10ALDH1A1TTRAPOBEC3A
SCHEMBL1662574 0.78 KDM4E (0.45) KDM4EHSD17B10ALDH1A1TTRAPOBEC3A
SCHEMBL1663018 0.78 CASP1 (0.49) KDM4EHSD17B10ALDH1A1TTRAPOBEC3A
SCHEMBL1662585 0.77 KDM4E (0.44) KDM4EHSD17B10ALDH1A1TTRAPOBEC3A
SCHEMBL3691646 0.77 KDM4E (0.52) KDM4EHSD17B10ALDH1A1TTRAPOBEC3A
SCHEMBL3687213 0.76 GRIN2D (0.38) KDM4EALDH1A1TTRAPOBEC3ASMN1; SMN2
SCHEMBL1662820 0.76 KDM4E (0.43) KDM4EHSD17B10ALDH1A1TTRAPOBEC3A
SCHEMBL21355438 0.76 KDM4E (0.43) KDM4EHSD17B10ALDH1A1TTRAPOBEC3A
SCHEMBL23905480 0.73 KDM4E (0.42) KDM4EHSD17B10ALDH1A1APOBEC3AMAPT

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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