SCHEMBL7478557

SCHEMBL7478557

Cn1c(Cc2nc3cc(C(N)=O)ccc3[nH]2)nc2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
CHEK2 O96017 1/20 0.42
APEX1 P27695 1/20 0.41
TPSAB1 Q15661 2/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
LGALS8 O00214 1/20 0.41
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
TYK2 P29597 4/20 0.41
JAK3 P52333 4/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
PPARG P37231 6/20 0.40
F10 P00742 2/20 0.39
TOP2A P11388 1/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL7477456 0.85 GLP1R (0.44) NPSR1APEX1LGALS8ALDH1A1MAPK1
SCHEMBL7481673 0.84 TPSAB1 (0.37) CHEK2TPSAB1TPSD1TPSG1JAK2
SCHEMBL7477294 0.83 APEX1 (0.44) NPSR1APEX1TPSAB1TPSD1TPSG1
SCHEMBL7481685 0.82 CHEK2 (0.36) CHEK2TPSAB1TPSD1TPSG1JAK2
SCHEMBL7481691 0.82 PIN1 (0.41) CHEK2TPSAB1TPSD1TPSG1JAK2
Hydrochloric Acid SCHEMBL7477525 0.82 PIN1 (0.40) CHEK2TPSAB1TPSD1TPSG1JAK2
SCHEMBL7402998 0.79 F10 (0.58) TPSAB1TPSD1TPSG1F10F2
SCHEMBL7408823 0.78 F10 (0.59) TPSAB1TPSD1TPSG1F10F2
SCHEMBL9028459 0.78 F10 (0.55) NPSR1CHEK2TPSAB1TPSD1TPSG1
SCHEMBL7476975 0.76 F2 (0.50) APEX1TPSAB1TPSD1TPSG1ALDH1A1

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-2000020400-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS AXYS PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed