SCHEMBL8932463

SCHEMBL8932463

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
CYP2D6 P10635 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC2A1 P11166 1/20 0.39
PKM P14618 1/20 0.38
IDO1 P14902 2/20 0.38
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CRBN Q96SW2 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
SCHEMBL8932404 0.87 IDO1 (0.38) NAAASMN1; SMN2CYP2D6ALDH1A1CYP2C19
SCHEMBL8932452 0.85 EPHX1 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8932411 0.81 BCHE (0.39) SMN1; SMN2IDO1CRBN
SCHEMBL8932424 0.81 KMT2A (0.47) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8932546 0.80 CRBN (0.44) LMNAIDO1HSD17B10CRBN
SCHEMBL8932570 0.79 GAA (0.39) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL8932477 0.79 MAOB (0.40) NAAAALDH1A1CYP2C9IDO1CRBN
SCHEMBL8932409 0.77 APP (0.42) SMN1; SMN2ALDH1A1IDO1CYP3A4CRBN
SCHEMBL8932509 0.77 TP53 (0.40) SMN1; SMN2ALDH1A1LMNAMAPK1MEN1
SCHEMBL8932562 0.77 GSK3B (0.37) ALDH1A1LMNAIDO1CYP3A4

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