SCHEMBL13043371

SCHEMBL13043371

CN1C(=O)[C@@](C)(c2c[nH]c3ccccc23)NC1=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MAPT P10636 6/20 0.43
TP53 P04637 5/20 0.43
THRB P10828 2/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
IDO1 P14902 1/20 0.43
RIPK1 Q13546 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 3/20 0.42
MGAM O43451 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL836471 0.75 MAPT (0.52) SIRT2SIRT1MAPTTP53THRB
SCHEMBL4237258 0.73 ALDH1A1 (0.56) TP53GAAALDH1A1POLBKMT2A
SCHEMBL1925658 0.73 GAA (0.50) SIRT2MAPTTP53GAAMGAM
SCHEMBL17610628 0.72 KMT2A (0.54) MAPTTP53ALDH1A1KDM4EPOLB
SCHEMBL28759307 0.70 TP53 (0.65) MAPTTP53THRBSMN1; SMN2HSD17B10
SCHEMBL29074193 0.69 GAA (0.50) SIRT2SIRT1MAPTTP53GAA
SCHEMBL17183509 0.69 MGAM (0.54) SIRT2SIRT1MAPTTP53THRB
SCHEMBL8934769 0.69 SIRT2 (0.46) SIRT2SIRT1MAPTTP53THRB
SCHEMBL17610635 0.67 POLB (0.53) MAPTTP53ALDH1A1KDM4EPOLB
SCHEMBL19197992 0.65 MAPT (0.50) SIRT2SIRT1MAPTTP53THRB

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-2260846-A1 Novel methods for the treatment of cancer Lankenau Institute for Medical Research (US) 2010-12-15 EP disclosed
US-7714139-B2 IDO inhibitors and methods of use LANKENAU INSTITUTE FOR MEDCIAL RESEARCH (US) 2010-05-11 US disclosed