SCHEMBL4958854

SCHEMBL4958854

CCCCc1nc2ccccc2c(=O)n1C1CCC(NC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ NPSR1 Q6W5P4 4/20 0.49
▸ TSHR P16473 3/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ GAA P10253 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ XBP1 P17861 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 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
SCHEMBL14115053 0.88 HDAC6 (0.47) LMNAALDH1A1MAPK1HDAC6NPSR1
SCHEMBL4958312 0.84 SMN1; SMN2 (0.56) LMNAALDH1A1MAPK1NPSR1TSHR
SCHEMBL4957260 0.83 LMNA (0.52) LMNAALDH1A1MAPK1NPSR1TSHR
Hydrochloric Acid SCHEMBL4961819 0.83 SMN1; SMN2 (0.55) LMNAALDH1A1MAPK1NPSR1TSHR
SCHEMBL4960927 0.81 PDE4A (0.54) LMNAALDH1A1MAPK1NPSR1TSHR
SCHEMBL18076647 0.81 TSHR (0.51) LMNAALDH1A1HDAC6NPSR1TSHR
Hydrochloric Acid SCHEMBL4960041 0.81 PDE4A (0.53) LMNAALDH1A1MAPK1NPSR1TSHR
SCHEMBL18076653 0.79 POLB (0.53) LMNAALDH1A1HDAC6NPSR1TSHR
SCHEMBL4959745 0.78 MAPT (0.55) LMNAALDH1A1MAPK1NPSR1TSHR
SCHEMBL4958732 0.77 MAPT (0.50) LMNAALDH1A1MAPK1NPSR1TSHR

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 claimed
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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