SCHEMBL18717153

SCHEMBL18717153

Cc1ccc(-c2cccs2)c(C=O)c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.56
DPP4 P27487 1/20 0.40
MAPT P10636 3/20 0.36
EDNRA P25101 1/20 0.36
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
LTA4H P09960 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL17993572 0.84 ERN1 (0.69) ERN1DPP4MAPTKDM4EMEN1
SCHEMBL12980112 0.78 ALDH1A1 (0.41) ERN1MAPTALDH1A1RAB9AKDM4E
SCHEMBL30159386 0.75 TDP2 (0.41) ERN1MAPTALDH1A1RAB9AKDM4E
SCHEMBL13037458 0.73 ERN1 (0.46) ERN1DPP4ALDH1A1RAB9AKDM4E
SCHEMBL9754595 0.72 ERN1 (0.67) ERN1MAPTALDH1A1RAB9AKDM4E
SCHEMBL13639877 0.72 ERN1 (0.66) ERN1DPP4MAPTALDH1A1LTA4H
SCHEMBL12767019 0.72 ERN1 (1.00) ERN1
SCHEMBL1830920 0.72 ESR2 (0.40) ERN1ALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL9754394 0.71 ERN1 (0.57) ERN1DPP4MAPTALDH1A1KDM4E
SCHEMBL9309936 0.69 KDM4E (0.47) MAPTEDNRAALDH1A1RAB9AKDM4E

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
EP-3150589-A1 IRE-1A INHIBITORS MannKind Corporation (US) 2017-04-05 EP disclosed