SCHEMBL537548

SCHEMBL537548

COC(=O)c1cccnc1NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MGLL Q99685 2/20 0.44
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL620688 0.78 TDP1 (0.69) MAPTGAATDP1ALDH1A1RAB9A
SCHEMBL2477935 0.75 NPC1 (0.57) MAPTTDP1ALDH1A1HPGDRAB9A
SCHEMBL537486 0.74 KMT2A (0.54) MAPTGAAPOLBALDH1A1HPGD
SCHEMBL682171 0.74 GAA (0.57) MAPTGAAALDH1A1HPGDKDM4E
SCHEMBL11720274 0.74 MAPT (0.58) MAPTGAATDP1ALDH1A1HPGD
SCHEMBL17831407 0.73 KMT2A (0.51) MAPTGAAPOLBALDH1A1RAB9A
SCHEMBL328491 0.73 GAA (0.56) MAPTGAAALDH1A1HPGDRAB9A
SCHEMBL3604286 0.73 KMT2A (0.74) MAPTALDH1A1RAB9A
SCHEMBL537509 0.73 GAA (0.49) MAPTGAAALDH1A1RAB9AKDM4E
SCHEMBL12426304 0.72 CNR2 (0.60) CNR2MAPTGAAPOLBTDP1

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-2414366-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE Novartis AG (CH) 2012-02-08 EP disclosed
WO-2010112520-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2010-10-07 WO disclosed