SCHEMBL14312830

SCHEMBL14312830

Cc1csc(-c2ncc(OC(=O)Nn3cc(C(F)(F)F)c4cccnc43)c(C)n2)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.37
▸ TGFBR1 P36897 2/20 0.35
▸ NTRK1 P04629 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ SCD O00767 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ELANE P08246 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ TSHR P16473 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
SCHEMBL14312748 0.93 HPGDS (0.37) HPGDSMAPTNPSR1POLBPTGDR2
SCHEMBL14313264 0.89 HPGDS (0.38) HPGDSHPGDPTGDR2S1PR1S1PR3
SCHEMBL14312982 0.89 TGFBR1 (0.37) HPGDSTGFBR1HPGDSCDKDM4E
SCHEMBL14313324 0.88 TGFBR1 (0.34) HPGDSTGFBR1MAPTNPSR1HPGD
SCHEMBL14313363 0.88 HPGDS (0.47) HPGDSMAPTNPSR1PTGDR2MEN1
SCHEMBL14312735 0.87 TGFBR1 (0.35) TGFBR1HPGDKDM4EALDH1A1TSHR
SCHEMBL14312884 0.87 HPGDS (0.39) HPGDSTGFBR1NTRK1MAPTNPSR1
SCHEMBL14312847 0.86 HPGDS (0.36) HPGDSTGFBR1NTRK1MAPTNPSR1
SCHEMBL14312986 0.86 TGFBR1 (0.35) TGFBR1HPGDKDM4EALDH1A1TSHR
SCHEMBL14313250 0.85 HPGDS (0.37) HPGDSTGFBR1NTRK1MAPTNPSR1

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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