SCHEMBL13187649

SCHEMBL13187649

O=C(Nc1cncc(OCC(O)CO)n1)c1ccc2cccc(-c3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 7/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GPR52 Q9Y2T5 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ PLG P00747 1/20 0.35
▸ PLAU P00749 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ NTRK1 P04629 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
SCHEMBL13187149 0.91 RAF1 (0.40) RAF1GPR52ALDH1A1CNR2
SCHEMBL13187148 0.91 RAF1 (0.40) RAF1GPR52ALDH1A1CNR2
SCHEMBL13187141 0.85 RAF1 (0.47) RAF1
SCHEMBL13187145 0.85 RAF1 (0.40) RAF1ALOX15TSHRCASP1NPSR1
SCHEMBL13187587 0.84 PLG (0.46) RAF1GPR52PLGPLAUPLAT
SCHEMBL1726200 0.83 RAF1 (0.42) RAF1TSHRPLGPLAUPLAT
SCHEMBL13187650 0.83 ALOX15 (0.39) RAF1ALOX15TSHRCASP1NPSR1
SCHEMBL13187856 0.79 TSHR (0.59) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL13187647 0.77 GRM5 (0.36) RAF1NTRK1
SCHEMBL13187665 0.77 GRM5 (0.36) RAF1NTRK1

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-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 — — WO disclosed
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