SCHEMBL14313102

SCHEMBL14313102

Cc1cc2cc(F)ccc2n1NC(=O)Oc1cnc(-c2ccccn2)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CTSD P07339 2/20 0.38
▸ GUSB P08236 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FFAR1 O14842 4/20 0.38
▸ F2 P00734 2/20 0.36
▸ F12 P00748 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ KLKB1 P03952 1/20 0.36

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
SCHEMBL14313023 0.89 HPGDS (0.51) HPGDSHRH3L3MBTL1RAB9ALMNA
SCHEMBL12083668 0.87 HPGDS (0.52) HPGDSHRH3L3MBTL1CTSDGUSB
SCHEMBL14312733 0.85 CSNK1D (0.39) HPGDSF10
SCHEMBL14312954 0.85 CYP11B1 (0.39) HPGDSLMNAMAPTKMT2AF2
SCHEMBL14313100 0.82 HPGDS (0.47) HPGDSL3MBTL1CTSDGUSBRAB9A
SCHEMBL12083712 0.82 HPGDS (0.68) HPGDSHRH3L3MBTL1CTSDGUSB
SCHEMBL14313083 0.80 HPGDS (0.68) HPGDSHRH3L3MBTL1CTSDGUSB
SCHEMBL14312850 0.79 CSNK1D (0.39) HPGDSMAPT
SCHEMBL14312871 0.75 HPGDS (0.40) HPGDSLMNAMAPTKCNH2F10
SCHEMBL14313176 0.75 LMNA (0.39) HPGDSLMNAMAPTKMT2AF2

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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