SCHEMBL5330002

SCHEMBL5330002

Cc1c([N+](=O)[O-])c(C(O)=S)nn1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
PKM P14618 2/20 0.42
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
GRK5 P34947 1/20 0.38
LIMK1 P53667 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36

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
SCHEMBL5273884 0.84 ALDH1A1 (0.55) MAPTMAPK1ALDH1A1NPSR1CYP1A2
SCHEMBL5329998 0.81 MAPT (0.55) MAPTMAPK1ALDH1A1NPSR1CYP1A2
SCHEMBL38666469 0.81 ALDH1A1 (0.55) MAPTMAPK1ALDH1A1NPSR1CYP1A2
SCHEMBL16833262 0.79 MAPT (0.53) MAPTMAPK1ALDH1A1NPSR1CYP1A2
SCHEMBL38666623 0.77 MAPT (0.51) MAPTMAPK1ALDH1A1NPSR1CYP1A2
SCHEMBL25170908 0.74 PKM (0.47) MAPTMAPK1ALDH1A1NPSR1CYP1A2
SCHEMBL2386652 0.74 PKM (0.66) MAPTMAPK1ALDH1A1NPSR1CYP1A2
SCHEMBL18282576 0.72 PKM (0.48) MAPTMAPK1ALDH1A1NPSR1CYP1A2
SCHEMBL9202274 0.71 PKM (0.47) MAPTMAPK1ALDH1A1NPSR1CYP1A2
SCHEMBL8144751 0.71 PKM (0.56) MAPTMAPK1ALDH1A1NPSR1CYP1A2

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
WO-2007011647-A2 INHIBITORS OF MITOTIC KINESIN KSP KALYPSYS, INC. (US) 2007-01-25 WO disclosed