SCHEMBL5043447

SCHEMBL5043447

Nc1c(C(=O)O)sc2nc(-c3ccccc3)nc(-c3cccc([N+](=O)[O-])c3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
F12 P00748 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTPN1 P18031 1/20 0.43
MYC P01106 1/20 0.43
WDR5 P61964 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5043443 1.00 MAPT (0.47) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27517855 0.94 MAPT (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27517850 0.88 HPGD (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27536473 0.88 LIMK1 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4420397 0.87 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL14285233 0.85 LHCGR (0.56) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4427626 0.85 BRAF (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL6218448 0.81 LHCGR (0.57) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5026183 0.81 MAPT (0.54) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL27491238 0.79 MAPT (0.56) MAPTALDH1A1MEN1KMT2AKDM4E

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-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed