SCHEMBL8010758

SCHEMBL8010758

CN(C)CCCOc1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)n(Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 6/20 0.50
SENP8 Q96LD8 6/20 0.50
SENP7 Q9BQF6 6/20 0.50
SENP6 Q9GZR1 6/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 4/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 4/20 0.46

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
SCHEMBL8010760 0.85 MAPK1 (0.47) SMN1; SMN2KDM4ETP53GAAMAPK1
SCHEMBL8010754 0.83 SMN1; SMN2 (0.46) SMN1; SMN2KDM4ETP53GAAMAPK1
SCHEMBL8009905 0.81 MAPT (0.54) SMN1; SMN2KDM4EGAAMAPK1NPSR1
SCHEMBL8013247 0.79 BRD4 (0.51) SMN1; SMN2KDM4EGAAMAPK1NPSR1
SCHEMBL8010101 0.78 GCK (0.43) NPC1RAB9ASMN1; SMN2KDM4EGAA
SCHEMBL7998139 0.77 TRPV1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ENFKB1
SCHEMBL8007462 0.77 CYP2D6 (0.50) NPC1KDM4EGAAMAPK1NPSR1
SCHEMBL8007918 0.77 NPC1 (0.47) CASP3SENP7NPC1RAB9ASMN1; SMN2
SCHEMBL8008245 0.77 NPSR1 (0.48) KDM4EGAAMAPK1NPSR1ALDH1A1
SCHEMBL8010517 0.77 NPSR1 (0.52) KDM4EGAAMAPK1NPSR1ALDH1A1

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-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed