SCHEMBL14312952

SCHEMBL14312952

COc1ccc2c(ccn2NC(=O)Oc2cnc(-c3ccccn3)nc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.50
▸ L3MBTL1 Q9Y468 8/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ PPP1CA P62136 1/20 0.41
▸ TRPM8 Q7Z2W7 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ CTSD P07339 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ F12 P00748 1/20 0.38

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
SCHEMBL14313927 0.91 HPGDS (0.42) HPGDSL3MBTL1POLB
SCHEMBL14313445 0.88 HPGDS (0.54) HPGDSL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14313256 0.88 HPGDS (0.52) HPGDSL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL12083729 0.85 HPGDS (0.65) HPGDSL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14313311 0.83 HPGDS (0.47) HPGDSL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14312983 0.82 HPGDS (0.40) HPGDSLMNAMAPT
SCHEMBL14312911 0.82 HPGDS (0.50) HPGDSL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14312671 0.81 HPGDS (0.46) HPGDSL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL14312581 0.81 HPGDS (0.51) HPGDSL3MBTL1SMN1; SMN2ALDH1A1PPP1CA
SCHEMBL14312780 0.80 HPGDS (0.76) HPGDSL3MBTL1SMN1; SMN2ALDH1A1LMNA

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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