SCHEMBL14312772

SCHEMBL14312772

Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1c(C)cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 3/20 0.40
▸ CSNK1D P48730 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ FYN P06241 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
SCHEMBL14312871 0.93 HPGDS (0.40) HPGDSCSNK1DALDH1A1PDGFRBPDGFRA
SCHEMBL14312998 0.89 HPGDS (0.38) HPGDSCSNK1DALDH1A1PDGFRBPDGFRA
SCHEMBL14313146 0.88 HPGDS (0.38) HPGDSCSNK1DPDGFRBPDGFRAMAPT
SCHEMBL14312850 0.87 CSNK1D (0.39) HPGDSCSNK1DALDH1A1KDM4EHPGD
SCHEMBL14312863 0.85 HPGDS (0.41) HPGDSCSNK1DPDGFRBPDGFRAWNT3A
SCHEMBL14312798 0.85 HPGDS (0.42) HPGDSCSNK1DPDGFRBPDGFRAWNT3A
SCHEMBL12083980 0.83 HPGDS (0.52) HPGDSCSNK1DALDH1A1KDM4EHPGD
SCHEMBL14313176 0.83 LMNA (0.39) HPGDSMAPTLMNA
SCHEMBL14313255 0.81 HPGDS (0.42) HPGDSCSNK1DPDGFRBPDGFRAWNT3A
SCHEMBL3716064 0.81 HPGDS (0.42) HPGDSCSNK1DALDH1A1KDM4EHPGD

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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