SCHEMBL14312581

SCHEMBL14312581

Cc1nc(-c2ccccn2)ncc1OC(=O)Nn1ccc2ccc(C(F)(F)F)cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.51
▸ KMT2A Q03164 3/20 0.42
▸ PPP1CA P62136 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ F12 P00748 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ METAP1 P53582 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL14312885 0.91 HPGDS (0.49) HPGDSKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL14313256 0.86 HPGDS (0.52) HPGDSKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL12084157 0.85 HPGDS (0.70) HPGDSKMT2APPP1CASMN1; SMN2F2
SCHEMBL14313110 0.85 HPGDS (0.58) HPGDSKMT2APPP1CASMN1; SMN2F2
SCHEMBL14312407 0.84 HPGDS (0.39) HPGDS
SCHEMBL14312960 0.84 HPGDS (0.36) HPGDS
SCHEMBL14313311 0.84 HPGDS (0.47) HPGDSKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL14313445 0.83 HPGDS (0.54) HPGDSKMT2APPP1CASMN1; SMN2F2
SCHEMBL14313161 0.83 HPGDS (0.48) HPGDSKMT2APPP1CASMN1; SMN2F2
SCHEMBL14312911 0.81 HPGDS (0.50) HPGDSKMT2APPP1CASMN1; SMN2MEN1

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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