SCHEMBL9754249

SCHEMBL9754249

CCOC(=O)C1=C(S)C=CNC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
LMNA P02545 4/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
HSP90AA1 P07900 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34

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
SCHEMBL1180315 0.67 KDM4E (0.38) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL21950893 0.66 CA12 (0.48) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL13234140 0.65 KDM4E (0.55) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL21950868 0.64 MAPT (0.44) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL25208706 0.62 MAPK1 (0.38) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL13996174 0.61 MAPT (0.41) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL754466 0.61 MAPT (0.39) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10230076 0.60 KDM4E (0.49) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL21338118 0.59 ALDH1A1 (0.49) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL21950904 0.58 KDM4E (0.46) MAPTLMNAMEN1KMT2AKDM4E

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
JP-3181464-A None JP disclosed
JP-H03181464-A NICOTINIC ACID DERIVATIVE HAVING SUBSTITUTED GROUP AND PRODUCTION THEREOF NIPPON SODA CO LTD 1991-08-07 JP disclosed