SCHEMBL366724

SCHEMBL366724

CC(=O)c1ccc2cc3ccccc3n2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
MCL1 Q07820 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NOTUM Q6P988 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6851185 0.84 CHRNB2 (0.43) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL365476 0.79 SCN9A (0.46) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28531553 0.74 CHRNA7 (0.51) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL366723 0.73 MAPT (0.45) MAPTALDH1A1HPGDSMN1; SMN2MAPK1
SCHEMBL4499694 0.69 KMT2A (0.35) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL366736 0.68 ALDH1A1 (0.41) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL367569 0.68 SRC (0.46) MAPTALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL3692718 0.67 KMT2A (0.65) MAPTALDH1A1HPGDMCL1SMN1; SMN2
SCHEMBL29681513 0.66 DAO (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL366876 0.66 EGFR (0.44) MAPTALDH1A1HPGDSMN1; SMN2KDM4E

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed