SCHEMBL14313271

SCHEMBL14313271

Cc1nc(-c2nccs2)ncc1OC(=O)Nn1ccc2ccncc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ HPGDS O60760 3/20 0.32
▸ AGTR2 P50052 2/20 0.32
▸ ECE1 P42892 1/20 0.31
▸ SLC22A12 Q96S37 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
SCHEMBL14313270 0.93 HPGDS (0.32) HPGDSAGTR2ECE1SLC22A12
SCHEMBL14313355 0.88 TGFBR1 (0.35) MAPTHPGDSSLC22A12
SCHEMBL14312739 0.87 SLC22A12 (0.33) MAPTHPGDSSLC22A12
SCHEMBL14313453 0.85 HPGDS (0.35) HPGDSECE1
SCHEMBL14312960 0.84 HPGDS (0.36) MAPTHPGDS
SCHEMBL3222736 0.83 HPGDS (0.47) MAPTHPGDSSLC22A12
SCHEMBL14313174 0.83 HPGDS (0.36) HPGDSECE1
SCHEMBL14312879 0.83 ENPP3 (0.36) HPGDSECE1SLC22A12
SCHEMBL14313272 0.82 AGTR2 (0.30) AGTR2
SCHEMBL14313311 0.82 HPGDS (0.47) MAPTHPGDS

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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