SCHEMBL14312696

SCHEMBL14312696

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1ccc2c(F)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.43
▸ NR3C2 P08235 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ GABRA5 P31644 2/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ GRM5 P41594 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
SCHEMBL14312798 0.89 HPGDS (0.42) HPGDSNR3C2CSNK1DWNT3APDGFRB
SCHEMBL14313193 0.89 HPGDS (0.40) HPGDSNR3C2PSEN1PSEN2APH1B
SCHEMBL14312928 0.88 HPGDS (0.41) HPGDSCSNK1DWNT3APDGFRBPDGFRA
SCHEMBL14313255 0.87 HPGDS (0.42) HPGDSCSNK1DWNT3APDGFRBPDGFRA
SCHEMBL14313134 0.86 HPGDS (0.41) HPGDSCSNK1DWNT3APDGFRBPDGFRA
SCHEMBL14312791 0.85 NR3C2 (0.36) HPGDSNR3C2WNT3AMAPTGRIN2B
SCHEMBL14312563 0.85 HPGDS (0.41) HPGDSCSNK1DWNT3AMAPTGRIN2B
SCHEMBL3223201 0.84 HPGDS (0.59) HPGDSNR3C2CSNK1D
SCHEMBL14313344 0.84 HPGDS (0.40) HPGDSCSNK1DGABRA5WNT3APDGFRB
SCHEMBL14313273 0.84 HPGDS (0.58) HPGDSMAPTLMNA

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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