SCHEMBL28015485

SCHEMBL28015485

CC(=O)Nc1nc(CC(=O)O)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ADORA3 P0DMS8 2/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GDA Q9Y2T3 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL28180372 0.81 ALPL (0.50) ALPLSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL15552380 0.73 ALPL (0.49) ALPLSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL28016057 0.72 ALPL (0.43) ALPLSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL31272024 0.72 ALPL (0.54) ALPLSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL873583 0.72 POLB (0.50) SMN1; SMN2KMT2AKDM4ECYP1A2LMNA
SCHEMBL7589708 0.71 ALPL (0.50) ALPLSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL31272534 0.71 ALPL (0.50) ALPLSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL878583 0.68 ADORA2A (0.40) CYP1A2LMNAPOLBMAPTHPGD
SCHEMBL13760175 0.67 ADORA3 (0.55) ALPLSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL28015484 0.67 ALPL (0.46) ALPLSMN1; SMN2MEN1KMT2AKDM4E

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
CN-104540831-A Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders 4SC DISCOVERY GMBH 2015-04-22 CN disclosed