SCHEMBL14313174

SCHEMBL14313174

Cc1nc(-c2nccs2)ncc1OC(=O)Nn1cc(C)c2cnccc21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.36
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ECE1 P42892 1/20 0.32
▸ HTR6 P50406 1/20 0.31
▸ MAPK8 P45983 1/20 0.30
▸ MAPK9 P45984 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ DHFR P00374 1/20 0.30

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
SCHEMBL14313453 0.93 HPGDS (0.35) HPGDSBCHEACHEECE1MAPK8
SCHEMBL14312961 0.90 AGTR2 (0.30) —
SCHEMBL14313327 0.89 HPGDS (0.31) HPGDS
SCHEMBL14312951 0.89 HPGDS (0.38) HPGDS
SCHEMBL14313194 0.88 HPGDS (0.36) HPGDSBCHEACHEHTR6MAPK8
SCHEMBL14313345 0.88 HPGDS (0.35) HPGDSBCHEACHEHTR6
SCHEMBL14313349 0.87 HPGDS (0.32) HPGDSMAPK8MAPK9MAPK10
SCHEMBL14313036 0.87 HPGDS (0.51) HPGDSBCHEACHEDHFR
SCHEMBL14312819 0.87 AGTR2 (0.31) HPGDSMAPK8MAPK9MAPK10
SCHEMBL14313270 0.85 HPGDS (0.32) HPGDSECE1MAPK8MAPK9MAPK10

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
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