SCHEMBL7105873

SCHEMBL7105873

Cc1nc2[nH]c(=O)n(CC[C@@H](S)CS)c(=O)c2nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 7/20 0.38
POLB P06746 4/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
RGS12 O14924 6/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
MCOLN3 Q8TDD5 2/20 0.38
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL7258493 1.00 USP2 (0.38) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7012468 0.86 USP2 (0.36) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7012471 0.86 USP2 (0.36) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7016261 0.80 USP2 (0.34) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7016262 0.80 USP2 (0.34) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7020440 0.77 KDM4E (0.43) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7020444 0.77 KDM4E (0.43) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7022161 0.75 USP2 (0.38) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7022158 0.75 USP2 (0.38) USP2POLBKEAP1NFE2L2SMN1; SMN2
SCHEMBL7015193 0.73 ADORA3 (0.37) PKMHPGDKMT2AKDM4EALDH1A1

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-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP disclosed