SCHEMBL19940202

SCHEMBL19940202

CCOC(=O)c1scnc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 6/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 3/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 2/20 0.40
CDC7 O00311 4/20 0.40
DBF4 Q9UBU7 4/20 0.40
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL859758 0.90 HSD17B10 (0.42) HSD17B10GAAKMT2AKDM4ERAB9A
SCHEMBL7613832 0.87 HSP90AA1 (0.48) HSD17B10GAAKMT2AKDM4ERAB9A
SCHEMBL21518879 0.87 HSD17B10 (0.43) HSD17B10GAAKMT2AKDM4ERAB9A
SCHEMBL2717847 0.85 SMN1; SMN2 (0.43) HSD17B10GAAKMT2AKDM4ERAB9A
SCHEMBL31575 0.82 KDM4E (0.58) HSD17B10GAAKMT2AKDM4ERAB9A
SCHEMBL29706009 0.81 HSD17B10 (0.52) HSD17B10GAAKMT2AKDM4ERAB9A
SCHEMBL3333926 0.81 ALDH1A1 (0.50) HSD17B10GAAKMT2AKDM4ERAB9A
SCHEMBL29706037 0.81 CDC7 (0.47) HSD17B10GAAKMT2AKDM4ERAB9A
SCHEMBL2555611 0.81 ALDH1A1 (0.41) HSD17B10GAAKMT2AKDM4ERAB9A
SCHEMBL5519680 0.81 CDC7 (0.51) HSD17B10KMT2AKDM4ERAB9ANPC1

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-3290417-A1 2-CHLORO-N-[2-(1,3-THIAZOL-5-YL)ETHYL]-5-(5-FLUOROPYRIMIDIN-2-YL)-BENZAMIDES AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.p.A. (IT) 2018-03-07 EP disclosed