SCHEMBL14312910

SCHEMBL14312910

Cc1nc(-c2ncccn2)ncc1OC(=O)Nn1cc(CC(F)(F)F)c2cccnc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.40
▸ ATM Q13315 1/20 0.32
▸ HTR3A P46098 4/20 0.32
▸ ELANE P08246 4/20 0.31
▸ CES2 O00748 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
SCHEMBL14312794 0.89 HPGDS (0.31) HPGDSCES2
SCHEMBL14313324 0.89 TGFBR1 (0.34) HPGDSCES2
SCHEMBL14313158 0.88 HPGDS (0.31) HPGDSCES2
SCHEMBL14313303 0.88 HPGDS (0.36) HPGDSHTR3AELANECES2
SCHEMBL14313267 0.87 HPGDS (0.43) HPGDSELANE
SCHEMBL14312963 0.87 HPGDS (0.41) HPGDS
SCHEMBL14313459 0.86 HPGDS (0.42) HPGDS
SCHEMBL14313363 0.86 HPGDS (0.47) HPGDSELANE
SCHEMBL14313347 0.83 HPGDS (0.37) HPGDSHTR3A
SCHEMBL14312796 0.81 HPGDS (0.43) HPGDSELANE

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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