SCHEMBL14312957

SCHEMBL14312957

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 5/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ KLKB1 P03952 5/20 0.33
▸ F2 P00734 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ FFAR1 O14842 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31

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
SCHEMBL14313050 0.92 HPGDS (0.57) HPGDSL3MBTL1ALDH1A1KDM4EGLA
SCHEMBL14312635 0.92 HPGDS (0.44) HPGDSCNR1
SCHEMBL14313181 0.89 HPGDS (0.60) HPGDSL3MBTL1ALDH1A1KDM4EGLA
SCHEMBL14312968 0.88 HPGDS (0.40) HPGDSCNR1
SCHEMBL12083895 0.87 HPGDS (0.73) HPGDSGLAKLKB1F2MEN1
SCHEMBL14313003 0.86 HPGDS (0.39) HPGDS
SCHEMBL14312953 0.86 HPGDS (0.73) HPGDSL3MBTL1ALDH1A1KDM4EKLKB1
SCHEMBL14313196 0.83 HPGDS (0.60) HPGDSL3MBTL1ALDH1A1KDM4EGLA
SCHEMBL14313161 0.82 HPGDS (0.48) HPGDSL3MBTL1ALDH1A1KDM4EF2
SCHEMBL14313346 0.80 HPGDS (0.41) HPGDSCNR1

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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