SCHEMBL4958732

SCHEMBL4958732

CCCCc1nc2ccccc2c(=O)n1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 5/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ OPRM1 P35372 3/20 0.48
▸ OGFRL1 Q5TC84 3/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ LMNA P02545 5/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.45
▸ TP53 P04637 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ATM Q13315 1/20 0.44

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
SCHEMBL4959745 0.88 MAPT (0.55) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL4957260 0.87 LMNA (0.52) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL14115053 0.83 HDAC6 (0.47) ALDH1A1KMT2ATSHRSMN1; SMN2OPRM1
SCHEMBL4957582 0.80 LMNA (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4960927 0.80 PDE4A (0.54) MAPTALDH1A1MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL4960041 0.79 PDE4A (0.53) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL17338184 0.78 OPRM1 (0.44) MAPTMEN1KMT2AOPRM1OGFRL1
SCHEMBL14115057 0.78 LMNA (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4958312 0.78 SMN1; SMN2 (0.56) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL4958854 0.77 LMNA (0.50) MAPTALDH1A1TSHRSMN1; SMN2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 — — WO disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 — — WO disclosed
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