SCHEMBL10402196

SCHEMBL10402196

Cn1cnnc1SCNC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 4/20 0.53
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
HSD11B1 P28845 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ATM Q13315 2/20 0.49
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL10402195 0.87 L3MBTL1 (0.51) L3MBTL1POLBALDH1A1KMT2AKDM4E
SCHEMBL10403666 0.84 MEN1 (0.56) L3MBTL1POLBALDH1A1KMT2AKDM4E
SCHEMBL2491894 0.78 L3MBTL1 (0.62) L3MBTL1POLBALDH1A1KMT2AKDM4E
SCHEMBL10403664 0.75 KMT2A (0.53) L3MBTL1POLBALDH1A1KMT2AKDM4E
SCHEMBL10401789 0.74 L3MBTL1 (0.51) L3MBTL1POLBALDH1A1KMT2AKDM4E
SCHEMBL5717624 0.73 L3MBTL1 (0.57) L3MBTL1POLBALDH1A1KMT2AKDM4E
SCHEMBL10401966 0.71 L3MBTL1 (0.55) L3MBTL1POLBALDH1A1KMT2AKDM4E
SCHEMBL10401788 0.71 ALDH1A1 (0.50) L3MBTL1POLBALDH1A1KMT2AKDM4E
SCHEMBL14969208 0.69 ALDH1A1 (0.53) L3MBTL1POLBALDH1A1KMT2AKDM4E
SCHEMBL15330472 0.69 L3MBTL1 (0.46) L3MBTL1POLBALDH1A1KMT2AKDM4E

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed