SCHEMBL14313173

SCHEMBL14313173

Cc1nc(-c2nc(Cl)cs2)ncc1OC(=O)Nn1cc(C(C)C)c2cccnc21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL14313406 0.93 — —
SCHEMBL14312986 0.93 TGFBR1 (0.35) PDE4AKDM4EALDH1A1HPGDKCNH2
SCHEMBL14312613 0.90 HPGDS (0.34) PDE4AKDM4EALDH1A1HPGD
SCHEMBL14313288 0.88 KDM4E (0.31) PDE4AKDM4EALDH1A1HPGDKCNH2
SCHEMBL14312748 0.86 HPGDS (0.37) KDM4E
SCHEMBL14312554 0.86 CES2 (0.30) —
SCHEMBL14312735 0.85 TGFBR1 (0.35) KDM4EALDH1A1HPGD
SCHEMBL14312827 0.85 PTGER1 (0.30) —
SCHEMBL14312784 0.85 NTRK1 (0.31) —
SCHEMBL14313158 0.84 HPGDS (0.31) —

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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