SCHEMBL14313192

SCHEMBL14313192

Cc1nc(-c2nc(Cl)cs2)ncc1OC(=O)Nn1ccc2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 7/20 0.34
▸ ENPP3 O14638 2/20 0.33
▸ ENPP1 P22413 2/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ MTNR1A P48039 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ HPGDS O60760 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14313099 0.92 TGFBR1 (0.36) SLC22A12ENPP3ENPP1MTNR1APARP1
SCHEMBL14312879 0.87 ENPP3 (0.36) SLC22A12ENPP3ENPP1MTNR1APARP1
SCHEMBL14312613 0.86 HPGDS (0.34) HPGDS
SCHEMBL3210289 0.85 HPGDS (0.45) SLC22A12ENPP3ENPP1SLC22A6ABCG2
SCHEMBL14312739 0.84 SLC22A12 (0.33) SLC22A12HPGDS
SCHEMBL14313107 0.84 SLC22A12 (0.33) SLC22A12HPGDS
SCHEMBL14313173 0.83 PDE4A (0.30) —
SCHEMBL14312748 0.82 HPGDS (0.37) HPGDSL3MBTL1
SCHEMBL14313406 0.82 — —
SCHEMBL14312671 0.82 HPGDS (0.46) SLC22A12HPGDSL3MBTL1

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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