SCHEMBL14313193

SCHEMBL14313193

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1ccc2c(C#N)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ SCN9A Q15858 6/20 0.39
▸ GRM5 P41594 1/20 0.37
▸ XDH P47989 2/20 0.36
▸ NLRP3 Q96P20 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL14312696 0.89 HPGDS (0.43) HPGDSNR3C2GRM5LMNAPSEN1
SCHEMBL14313322 0.87 HPGDS (0.42) HPGDSSCN9AGRM5XDHMAP4K4
SCHEMBL14312928 0.86 HPGDS (0.41) HPGDSTP53PSEN1PSEN2APH1B
SCHEMBL12083963 0.85 HPGDS (0.55) HPGDSNR3C1NR3C2SCN9AGRM5
SCHEMBL14312798 0.85 HPGDS (0.42) HPGDSNR3C2GRM5LMNAPSEN1
SCHEMBL14312738 0.85 HPGDS (0.39) HPGDSGRM5XDHPSEN1PSEN2
SCHEMBL14313255 0.83 HPGDS (0.42) HPGDSGRM5LMNAPSEN1PSEN2
SCHEMBL14313134 0.83 HPGDS (0.41) HPGDS
SCHEMBL14313248 0.81 HPGDS (0.41) HPGDSMAP4K4LMNATP53
SCHEMBL14312563 0.81 HPGDS (0.41) HPGDS

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
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
Send feedback