SCHEMBL18656790

SCHEMBL18656790

Cc1cc2c(Cl)ncnc2n1CO

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
NR2F2 P24468 1/20 0.36
KMT2A Q03164 1/20 0.36
SELE P16581 1/20 0.35
VCAM1 P19320 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ENPP1 P22413 2/20 0.32
TP53 P04637 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
POLB P06746 1/20 0.30
ADK P55263 1/20 0.30
LMNA P02545 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL28928067 0.81 LMNA (0.37) MEN1NR2F2KMT2ASLC22A12LMNA
SCHEMBL25526909 0.81 SLC22A12 (0.36) MEN1NR2F2KMT2ASELEVCAM1
SCHEMBL23885609 0.77 RAB9A (0.45) MEN1KMT2AALDH1A1
SCHEMBL18640792 0.77 HSD17B10 (0.32) ALDH1A1LMNA
SCHEMBL12410481 0.75 SELE (0.35) MEN1NR2F2KMT2ASELEVCAM1
SCHEMBL30893392 0.74 NPC1 (0.35) MEN1NR2F2KMT2ASELEVCAM1
SCHEMBL15218164 0.74 NPC1 (0.35) MEN1NR2F2KMT2ASELEVCAM1
SCHEMBL22509663 0.74 SELE (0.34) MEN1NR2F2KMT2ASELEVCAM1
SCHEMBL17406862 0.73 SRC (0.40)
SCHEMBL22857613 0.73 HTT (0.38) MEN1NR2F2KMT2AENPP1

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-2017046738-A1 TRIAZOLONE COMPOUNDS AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed