SCHEMBL4782273

SCHEMBL4782273

CC(C)Nc1c([N+](=O)[O-])cnc2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.46
KMT2A Q03164 9/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PDE10A Q9Y233 1/20 0.43
MAPT P10636 15/20 0.43
ALDH1A1 P00352 10/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
LMNA P02545 3/20 0.43
CTSB P07858 2/20 0.43
HTT P42858 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
NPC1 O15118 1/20 0.43
BRD4 O60885 1/20 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
SCHEMBL2749235 0.86 MAPT (0.49) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL8147325 0.85 MAPT (0.46) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL191477 0.83 MAPT (0.48) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL8144938 0.82 MAPT (0.48) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL31411153 0.81 LRRK2 (0.55) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7093493 0.79 MAPT (0.39) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL12744372 0.79 MAPT (0.46) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL13914461 0.78 PDE10A (0.43) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL13914462 0.78 MAPT (0.47) MEN1KMT2ASMN1; SMN2PDE10AMAPT
SCHEMBL1457261 0.78 MAPT (0.40) MEN1KMT2ASMN1; SMN2PDE10AMAPT

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-2008030511-A2 SUBSTITUTED 3,4,6,7-TETRAHYDRO-5H, 1,2A,4A,8-TETRAAZACYCLOPENTA[CD]PHENALENES COLEY PHARMACEUTICIAL GROUP, INC. (US) 2008-03-13 WO disclosed