SCHEMBL14313196

SCHEMBL14313196

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.60
▸ L3MBTL1 Q9Y468 7/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ PPP1CA P62136 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ERN1 O75460 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TRPM8 Q7Z2W7 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL14312953 0.90 HPGDS (0.73) HPGDSL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14313181 0.87 HPGDS (0.60) HPGDSL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12084042 0.86 HPGDS (0.81) HPGDSL3MBTL1ALDH1A1KDM4EKMT2A
SCHEMBL14313050 0.84 HPGDS (0.57) HPGDSL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14312950 0.83 HPGDS (0.55) HPGDSL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL14312957 0.83 HPGDS (0.55) HPGDSL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14313445 0.83 HPGDS (0.54) HPGDSL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14313242 0.81 HPGDS (0.60) HPGDSMAPTPLA2G2A
SCHEMBL14313156 0.80 HPGDS (0.64) HPGDSL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14313023 0.79 HPGDS (0.51) HPGDSL3MBTL1ALDH1A1KDM4ESMN1; SMN2

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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