SCHEMBL14312671

SCHEMBL14312671

Cc1nc(-c2ccccn2)ncc1OC(=O)Nn1ccc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.46
▸ L3MBTL1 Q9Y468 9/20 0.39
▸ TRPM8 Q7Z2W7 6/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MITF O75030 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PPP1CA P62136 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ SLC22A12 Q96S37 2/20 0.36
▸ GAA P10253 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
SCHEMBL14313256 0.89 HPGDS (0.52) HPGDSL3MBTL1TRPM8ALDH1A1KDM4E
SCHEMBL14313022 0.88 HPGDS (0.45) HPGDSL3MBTL1TRPM8ALDH1A1KDM4E
SCHEMBL14312654 0.85 HPGDS (0.39) HPGDSSMN1; SMN2MAPTKMT2ASLC22A12
SCHEMBL14312911 0.85 HPGDS (0.50) HPGDSL3MBTL1TRPM8ALDH1A1KDM4E
SCHEMBL14313311 0.84 HPGDS (0.47) HPGDSL3MBTL1TRPM8ALDH1A1KDM4E
SCHEMBL14312879 0.83 ENPP3 (0.36) HPGDSL3MBTL1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14313099 0.83 TGFBR1 (0.36) HPGDSL3MBTL1ALDH1A1SLC22A12
SCHEMBL3221680 0.82 HPGDS (0.63) HPGDSKDM4EMEN1KMT2ASLC22A12
SCHEMBL14313361 0.82 HPGDS (0.60) HPGDSL3MBTL1TRPM8ALDH1A1KDM4E
SCHEMBL14313192 0.82 SLC22A12 (0.34) HPGDSL3MBTL1SLC22A12

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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