SCHEMBL14313110

SCHEMBL14313110

Cc1nc(-c2ccccn2)ncc1OC(=O)Nn1cc(C)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.58
▸ KMT2A Q03164 3/20 0.43
▸ PPP1CA P62136 1/20 0.43
▸ METAP1 P53582 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ F12 P00748 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ SCN2B O60939 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN1B Q07699 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 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
SCHEMBL14313161 0.91 HPGDS (0.48) HPGDSKMT2APPP1CAMETAP1SMN1; SMN2
SCHEMBL14312953 0.89 HPGDS (0.73) HPGDSKMT2APPP1CASMN1; SMN2F2
SCHEMBL12084132 0.85 HPGDS (0.79) HPGDSKMT2APPP1CAMETAP1BRAF
SCHEMBL14312581 0.85 HPGDS (0.51) HPGDSKMT2APPP1CAMETAP1SMN1; SMN2
SCHEMBL14313251 0.84 HPGDS (0.54) HPGDSKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL14313156 0.84 HPGDS (0.64) HPGDSKMT2APPP1CASMN1; SMN2CYP1A2
SCHEMBL14313203 0.83 HPGDS (0.52) HPGDSKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL14313001 0.82 HPGDS (0.43) HPGDS
SCHEMBL14313066 0.81 HPGDS (0.73) HPGDSKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL14313361 0.81 HPGDS (0.60) 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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