SCHEMBL9599145

SCHEMBL9599145

N#CC(=CNc1ncccc1OCc1ccccc1)c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 15/20 0.43
▸ GRM5 P41594 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ GCK P35557 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ PPIF P30405 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
SCHEMBL9598095 0.80 PPIA (0.48) PPIAGRM5PPIF
SCHEMBL9599085 0.79 GAA (0.33) —
SCHEMBL9038730 0.78 MAPT (0.43) —
SCHEMBL9038722 0.78 MAPT (0.43) —
SCHEMBL9595515 0.74 MAPT (0.48) HPGD
SCHEMBL9596670 0.74 HTT (0.46) PPIA
SCHEMBL9597473 0.74 MAPT (0.41) —
SCHEMBL8032303 0.70 PPIA (0.59) PPIAGRM5GCKLTA4HMAPK14
SCHEMBL4318524 0.69 GAA (0.43) HPGD
SCHEMBL4318522 0.69 GAA (0.43) HPGD

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-1993016070-A1 3-(PYRIDYLAMINO)-2-(1H^_-TETRAZOL-5-YL)-ACRYLNITRILES AND A PROCESS FOR THE PREPARATION THEREOF CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-08-19 — — WO disclosed
Send feedback