SCHEMBL2633359

SCHEMBL2633359

COc1ccc2c(O)cc(-c3csc(NC(C)C)n3)nc2c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
MAPT P10636 7/20 0.39
LMNA P02545 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 4/20 0.38
HSD17B10 Q99714 4/20 0.38
GAA P10253 4/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1167213 0.88 TYR (0.48) TYRMAPTLMNACDK5CDK5R1
SCHEMBL14392811 0.87 TYR (0.47) TYRMAPTLMNACDK5CDK5R1
SCHEMBL10194576 0.87 TYR (0.47) TYRMAPTLMNACDK5CDK5R1
SCHEMBL693184 0.87 TYR (0.47) TYRMAPTLMNACDK5CDK5R1
SCHEMBL2633308 0.87 TYR (0.47) TYRMAPTLMNACDK5CDK5R1
SCHEMBL14393043 0.85 TYR (0.49) TYRMAPTLMNACDK5CDK5R1
SCHEMBL13763578 0.79 TYR (0.43) TYRMAPTLMNAMEN1KMT2A
SCHEMBL8125938 0.79 TYR (0.52) TYRMAPTMEN1KMT2AALDH1A1
SCHEMBL12708283 0.79 TYR (0.52) TYRMAPTMEN1KMT2AALDH1A1
SCHEMBL10221364 0.78 TYR (0.45) TYRMAPTLMNAMEN1KMT2A

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
EP-2043658-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2012-04-25 EP disclosed