SCHEMBL28019762

SCHEMBL28019762

CCCOc1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.74
CHRNB2 P17787 2/20 0.71
CHRNB4 P30926 2/20 0.71
CHRNA3 P32297 2/20 0.71
CHRNA7 P36544 2/20 0.71
CHRNA4 P43681 2/20 0.71
TP53 P04637 2/20 0.71
RXFP1 Q9HBX9 1/20 0.71
RAB9A P51151 4/20 0.71
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
TSHR P16473 1/20 0.71
MCL1 Q07820 1/20 0.71
HSD17B10 Q99714 1/20 0.71
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NR1H4 Q96RI1 3/20 0.64
CHRNA10 Q9GZZ6 1/20 0.64

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
SCHEMBL9453351 0.90 NR1H4 (0.73) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4257510 0.88 NR1H4 (0.76) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7635847 0.88 NPC1 (0.84) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14339507 0.87 MAPT (0.77) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8361566 0.87 MAPT (0.77) MAPTTP53RXFP1RAB9AKDM4E
Iodide SCHEMBL30758616 0.86 NPC1 (0.82) MAPTCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL22192246 0.86 SMN1; SMN2 (0.81) MAPTTP53RAB9AKDM4EALDH1A1
SCHEMBL4104949 0.84 PPARA (0.68) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7294717 0.84 MAPT (0.73) MAPTRAB9AKDM4EALDH1A1TSHR
SCHEMBL9695914 0.84 MAPT (0.73) MAPTRAB9AKDM4EALDH1A1TSHR

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
CN-104739820-A Small molecule inhibitor and application thereof to inhibiting ornithine decarboxylase (ODC) UNIV CHINA THREE GORGES CTGU 2015-07-01 CN disclosed