SCHEMBL16833262

SCHEMBL16833262

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.46
PKM P14618 2/20 0.46
CHEK1 O14757 1/20 0.38
DAPK3 O43293 1/20 0.38
GRK5 P34947 1/20 0.38
LIMK1 P53667 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALPL P05186 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) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL38666469 0.84 ALDH1A1 (0.55) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL5329998 0.84 MAPT (0.55) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL38666623 0.80 MAPT (0.51) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL5330002 0.79 MAPT (0.50) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL6690449 0.79 SMN1; SMN2 (0.43) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL6200618 0.79 SMN1; SMN2 (0.50) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL6994179 0.76 MEN1 (0.49) MAPTCYP1A2GAASMN1; SMN2PKM
SCHEMBL6443970 0.76 SMN1; SMN2 (0.58) MAPTALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL25170908 0.74 PKM (0.47) MAPTALDH1A1MAPK1NPSR1CYP1A2

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
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed