SCHEMBL14313161

SCHEMBL14313161

CCc1cn(NC(=O)Oc2cnc(-c3ccccn3)nc2C)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.48
▸ KMT2A Q03164 3/20 0.42
▸ PPP1CA P62136 1/20 0.42
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ METAP1 P53582 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ F12 P00748 1/20 0.35
▸ PTGS2 P35354 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
SCHEMBL14313001 0.92 HPGDS (0.43) HPGDSL3MBTL1ALDH1A1
SCHEMBL14313110 0.91 HPGDS (0.58) HPGDSKMT2APPP1CACYP1A2CYP2C9
SCHEMBL12083840 0.86 HPGDS (0.65) HPGDSKMT2APPP1CACYP1A2CYP2C9
SCHEMBL14312984 0.85 HPGDS (0.49) HPGDSKMT2APPP1CACYP1A2CYP2C9
SCHEMBL14312398 0.85 HPGDS (0.38) HPGDSPTGS2
SCHEMBL14313340 0.85 MAPK9 (0.35) HPGDSL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL14313181 0.84 HPGDS (0.60) HPGDSKMT2APPP1CAL3MBTL1KDM4E
SCHEMBL14312693 0.83 HPGDS (0.46) HPGDSKMT2APPP1CAL3MBTL1KDM4E
SCHEMBL14313050 0.83 HPGDS (0.57) HPGDSKMT2APPP1CACYP1A2L3MBTL1
SCHEMBL14312581 0.83 HPGDS (0.51) HPGDSKMT2APPP1CACYP1A2CYP2C9

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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