SCHEMBL8932404

SCHEMBL8932404

COc1ccc(CSC2CNC(=NC(=O)N(C)C)NC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
NAAA Q02083 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.35
HTR2A P28223 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2D6 P10635 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
CRBN Q96SW2 1/20 0.34
SLC2A1 P11166 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
SCHEMBL8932463 0.87 NAAA (0.40) IDO1NAAASMN1; SMN2ALDH1A1CYP2C19
SCHEMBL8932452 0.82 EPHX1 (0.40) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL8932411 0.78 BCHE (0.39) IDO1SMN1; SMN2CRBN
SCHEMBL8932424 0.78 KMT2A (0.47) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8932546 0.77 CRBN (0.44) IDO1HSD17B10LMNACRBN
SCHEMBL8932477 0.76 MAOB (0.40) IDO1NAAAALDH1A1TDP1CYP2C9
SCHEMBL8932409 0.74 APP (0.42) IDO1SMN1; SMN2ALDH1A1CYP3A4CRBN
SCHEMBL8932562 0.74 GSK3B (0.37) IDO1ALDH1A1CYP3A4TDP1LMNA
SCHEMBL8932509 0.74 TP53 (0.40) IDO1SMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL8932570 0.74 GAA (0.39) SMN1; SMN2ALDH1A1HTTLMNAMEN1

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