SCHEMBL23155658

SCHEMBL23155658

C=C(N)c1ccc(N)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPT P10636 3/20 0.45
▸ GAA P10253 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TSHR P16473 1/20 0.42
▸ F2 P00734 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ PLAU P00749 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ KLK1 P06870 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ ALDH1A1 P00352 2/20 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
SCHEMBL23005772 0.84 HSD17B10 (0.52) ALOX15HSD17B10CYP3A4MAPTGAA
SCHEMBL13008247 0.82 ALOX15 (0.50) ALOX15HSD17B10CYP3A4MAPTGAA
SCHEMBL22905073 0.81 TDP1 (0.42) ALOX15CYP3A4MAPTGAAKDM4E
SCHEMBL5595306 0.77 LCK (0.55) ALOX15HSD17B10CYP3A4MAPTGAA
SCHEMBL23592021 0.76 TSHR (0.50) ALOX15HSD17B10CYP3A4MAPTKDM4E
SCHEMBL24371583 0.75 HSD17B10 (0.43) ALOX15HSD17B10CYP3A4MAPTGAA
SCHEMBL9790445 0.75 HSD17B10 (0.43) ALOX15HSD17B10CYP3A4MAPTGAA
SCHEMBL766129 0.74 HSD17B10 (0.52) ALOX15HSD17B10CYP3A4MAPTGAA
SCHEMBL29412590 0.74 HSD17B10 (0.52) ALOX15HSD17B10CYP3A4MAPTGAA
SCHEMBL180385 0.73 KDM4E (0.64) ALOX15HSD17B10CYP3A4MAPTGAA

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-2021061643-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-04-01 — — WO disclosed
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