SCHEMBL14313344

SCHEMBL14313344

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1ccc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.40
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ FOS P01100 1/20 0.35
▸ JUN P05412 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ PTGFR P43088 2/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32

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
SCHEMBL14313255 0.93 HPGDS (0.42) HPGDSCSNK1DHCRTR2WNT3APDGFRB
SCHEMBL14312798 0.89 HPGDS (0.42) HPGDSCSNK1DHCRTR2WNT3APDGFRB
SCHEMBL14312983 0.89 HPGDS (0.40) HPGDSFOSJUNNFKB1NFKB2
SCHEMBL14312743 0.88 HPGDS (0.42) HPGDS
SCHEMBL14312738 0.87 HPGDS (0.39) HPGDSCSNK1DHCRTR2PSEN1PSEN2
SCHEMBL14312563 0.85 HPGDS (0.41) HPGDSCSNK1DWNT3AMAPT
SCHEMBL3810374 0.85 HPGDS (0.51) HPGDSSLC6A2SLC6A4FOSJUN
SCHEMBL14312696 0.84 HPGDS (0.43) HPGDSSLC6A2SLC6A4CSNK1DHCRTR2
SCHEMBL14313134 0.83 HPGDS (0.41) HPGDSCSNK1DWNT3APDGFRBPDGFRA
SCHEMBL14312670 0.83 LMNA (0.39) HPGDSLMNAMAPT

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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