SCHEMBL14313100

SCHEMBL14313100

O=C(Nn1ccc2cc(F)ccc21)Oc1cnc(-c2ccccn2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.47
▸ GRM4 Q14833 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ F2 P00734 3/20 0.38
▸ F12 P00748 1/20 0.38
▸ CTSD P07339 2/20 0.37
▸ GUSB P08236 2/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ AGTR1 P30556 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ KLKB1 P03952 2/20 0.36
▸ F10 P00742 1/20 0.36
▸ KLK1 P06870 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL14313117 0.88 HPGDS (0.38) HPGDSLMNAMAPTKMT2A
SCHEMBL14312669 0.87 HPGDS (0.45) HPGDSF2F12MAPTRAB9A
SCHEMBL14313445 0.87 HPGDS (0.54) HPGDSL3MBTL1F2GLAKLKB1
SCHEMBL12083928 0.86 HPGDS (0.54) HPGDSGRM4L3MBTL1F2F12
SCHEMBL14313213 0.85 KDM4A (0.42) HPGDSGAA
SCHEMBL14312729 0.84 MET (0.39) HPGDS
SCHEMBL14313102 0.82 HPGDS (0.48) HPGDSL3MBTL1F2F12CTSD
SCHEMBL14313083 0.81 HPGDS (0.68) HPGDSGRM4L3MBTL1F2CTSD
SCHEMBL14313040 0.80 HPGDS (0.50) HPGDSF2F12GLAKLKB1
SCHEMBL14312654 0.80 HPGDS (0.39) HPGDSF2F12MAPTRAB9A

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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