SCHEMBL3672199

SCHEMBL3672199

COC(=O)CC#N.COC(=O)CC(=N)NO

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.41
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 3/20 0.33
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3013718 0.84
SCHEMBL180857 0.82
Methane SCHEMBL28190144 0.80
Methane SCHEMBL28190838 0.80 MCL1 (0.48) MCL1MGAMGAASIMGAM2
SCHEMBL5357381 0.80
SCHEMBL29285367 0.80
SCHEMBL28027321 0.76 GAA (0.65) MCL1MGAMGAASIMGAM2
SCHEMBL28158885 0.76 MCL1 (0.44) MCL1MGAMGAASIMGAM2
SCHEMBL27864116 0.76 MCL1 (0.44) MCL1MGAMGAASIMGAM2
Alcohol SCHEMBL27744918 0.76 MCL1 (0.46) MCL1MGAMGAASIMGAM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178869-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025477-A1 INDOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO disclosed