SCHEMBL14313022

SCHEMBL14313022

Cc1nc(-c2ccccn2)ncc1OC(=O)Nn1ccc2cc(F)cnc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.45
▸ L3MBTL1 Q9Y468 9/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PPP1CA P62136 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ TRPM8 Q7Z2W7 3/20 0.36
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FFAR1 O14842 1/20 0.34

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
SCHEMBL14312671 0.88 HPGDS (0.46) HPGDSL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL14313445 0.87 HPGDS (0.54) HPGDSL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL14313262 0.84 HPGDS (0.42) HPGDSMAPTLMNA
SCHEMBL12083859 0.84 HPGDS (0.63) HPGDSL3MBTL1MEN1KMT2AKDM4E
SCHEMBL14313123 0.84 HPGDS (0.48) HPGDSL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL14313256 0.83 HPGDS (0.52) HPGDSL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL14313311 0.80 HPGDS (0.47) HPGDSL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL14313273 0.80 HPGDS (0.58) HPGDSL3MBTL1SMN1; SMN2ALDH1A1HTT
SCHEMBL14312581 0.80 HPGDS (0.51) HPGDSL3MBTL1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14312911 0.79 HPGDS (0.50) HPGDSL3MBTL1SMN1; SMN2ALDH1A1HTT

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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