SCHEMBL14312968

SCHEMBL14312968

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(CCC(C)(C)O)c2cc(F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.40
▸ CSNK1D P48730 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ IRAK1 P51617 2/20 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
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ METTL3 Q86U44 1/20 0.32
▸ METTL14 Q9HCE5 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ ICMT O60725 1/20 0.32
▸ GRIN2B Q13224 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 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
SCHEMBL14313346 0.92 HPGDS (0.41) HPGDSCSNK1DWNT3ACNR1PSEN1
SCHEMBL14312635 0.91 HPGDS (0.44) HPGDSCNR1
SCHEMBL14312957 0.88 HPGDS (0.55) HPGDSCNR1
SCHEMBL12083882 0.87 HPGDS (0.55) HPGDSCSNK1DWNT3AIRAK1LMNA
SCHEMBL14313003 0.86 HPGDS (0.39) HPGDS
SCHEMBL14313439 0.85 HPGDS (0.54) HPGDSCSNK1DWNT3APSEN1PSEN2
SCHEMBL14312802 0.84 HPGDS (0.44) HPGDSCSNK1DWNT3APSEN1PSEN2
SCHEMBL14312398 0.84 HPGDS (0.38) HPGDSCSNK1DICMTGRIN2BHCRTR1
SCHEMBL14313322 0.82 HPGDS (0.42) HPGDSPSEN1PSEN2APH1BNCSTN
SCHEMBL14313409 0.81 HPGDS (0.43) HPGDSCSNK1DWNT3ALMNAGRIN2B

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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