SCHEMBL14312653

SCHEMBL14312653

Cc1nc(-c2ncccn2)ncc1OC(=O)Nn1cc(C(F)(F)F)c2ncccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.49
▸ HTR2C P28335 9/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ HTR2A P28223 8/20 0.31
▸ HTR2B P41595 8/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ HSP90AA1 P07900 2/20 0.31
▸ RORC P51449 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ TRPV1 Q8NER1 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
SCHEMBL14312864 0.89 HPGDS (0.39) HPGDSS1PR1HSP90AA1RORCKDM4E
SCHEMBL14312884 0.88 HPGDS (0.39) HPGDSCYP2C9RORCMAPTNPSR1
SCHEMBL14313291 0.88 HPGDS (0.41) HPGDSHTR2CS1PR1S1PR3HTR2A
SCHEMBL14313041 0.87 HPGDS (0.38) HPGDSHTR2CHTR2AHTR2BHSP90AA1
SCHEMBL14313459 0.87 HPGDS (0.42) HPGDSHSP90AA1
SCHEMBL14313182 0.85 HPGDS (0.50) HPGDSS1PR1S1PR3
SCHEMBL14313085 0.85 HPGDS (0.39) HPGDSHSP90AA1
SCHEMBL14313363 0.85 HPGDS (0.47) HPGDSHTR2CS1PR1S1PR3HTR2A
SCHEMBL14313410 0.82 HPGDS (0.41) HPGDSHTR2CHTR2AHTR2BCYP2C9
SCHEMBL14312617 0.80 HPGDS (0.59) HPGDS

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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