SCHEMBL14744389

SCHEMBL14744389

O=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.45
▸ ALOX5AP P20292 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ MAPT P10636 5/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSPB1 P04792 2/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SCN9A Q15858 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL30695897 0.82 MAPT (0.58) MAPTPKMNPSR1SMN1; SMN2KMT2A
SCHEMBL14988537 0.82 MAPT (0.58) MAPTPKMNPSR1SMN1; SMN2KMT2A
SCHEMBL14988486 0.80 HSPB1 (0.48) MAPTPKMNPSR1SMN1; SMN2HSPB1
SCHEMBL14988521 0.79 ALDH1A1 (0.43) ALOX5APFEN1MAPTNPSR1SMN1; SMN2
SCHEMBL14988356 0.78 MAPT (0.45) ALOX5APFEN1MAPTPKMNPSR1
SCHEMBL14746823 0.78 PTPRC (0.44) ALOX5APFEN1MAPTNPSR1ABL1
SCHEMBL14988769 0.77 EIF4A1 (0.48) MAPTPKMNPSR1SMN1; SMN2HSPB1
SCHEMBL14744065 0.77 ALDH1A1 (0.41) ALOX5APFEN1MAPTPKMNPSR1
SCHEMBL3173477 0.77 KMT2A (0.55) ALOX5APFEN1MAPTSMN1; SMN2HSPB1
SCHEMBL29791390 0.77 KMT2A (0.55) ALOX5APFEN1MAPTSMN1; SMN2HSPB1

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-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 — — WO disclosed
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