SCHEMBL14313288

SCHEMBL14313288

Cc1nc(-c2nccs2)ncc1OC(=O)Nn1cc(C(C)C)c2cccnc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ TYK2 P29597 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
SCHEMBL14312631 0.92 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL14312689 0.90 HPGDS (0.35) KDM4EALDH1A1HPGDTYK2
SCHEMBL14312986 0.89 TGFBR1 (0.35) KDM4EALDH1A1HPGDPDE4AKCNH2
SCHEMBL14313173 0.88 PDE4A (0.30) KDM4EALDH1A1HPGDPDE4AKCNH2
SCHEMBL14313264 0.86 HPGDS (0.38) KDM4EALDH1A1HPGD
SCHEMBL14312869 0.85 CES2 (0.31) —
SCHEMBL14312961 0.85 AGTR2 (0.30) —
SCHEMBL14313272 0.85 AGTR2 (0.30) —
SCHEMBL14312794 0.84 HPGDS (0.31) —
SCHEMBL14312879 0.82 ENPP3 (0.36) KDM4EALDH1A1HPGD

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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