SCHEMBL8932509

SCHEMBL8932509

COc1ccc(CSC2CNC(=Nc3ncccn3)NC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
APP P05067 1/20 0.38
CRBN Q96SW2 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PTGIR P43119 1/20 0.35
MEN1 O00255 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IDO1 P14902 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8932562 0.83 GSK3B (0.37) APPLMNAIDO1ALDH1A1
SCHEMBL8932411 0.78 BCHE (0.39) APPCRBNSMN1; SMN2IDO1
SCHEMBL8932477 0.78 MAOB (0.40) APPCRBNIDO1ALDH1A1MAOA
SCHEMBL8932463 0.77 NAAA (0.40) CRBNSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL8932546 0.76 CRBN (0.44) APPCRBNLMNAIDO1HSD17B10
SCHEMBL8932409 0.76 APP (0.42) TP53APPCRBNSMN1; SMN2IDO1
SCHEMBL8932570 0.75 GAA (0.39) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL8932452 0.74 EPHX1 (0.40) TP53NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8932404 0.74 IDO1 (0.38) CRBNSMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL8932476 0.73 APP (0.44) TP53APPCRBNSMN1; SMN2IDO1

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-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed