SCHEMBL7786752

SCHEMBL7786752

CNc1c(N)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PDE7A Q13946 1/20 0.46
TSHR P16473 4/20 0.46
GPR35 Q9HC97 2/20 0.44
HSD17B10 Q99714 1/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
GAA P10253 1/20 0.40
KCNMA1 Q12791 1/20 0.39

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
SCHEMBL2524312 0.86 TDP1 (0.58) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL23081633 0.83 PDE7A (0.47) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL27829945 0.81 SMN1; SMN2 (0.46) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL9872830 0.80 MEN1 (0.50) TDP1SMN1; SMN2PDE7ATSHRGPR35
SCHEMBL4151648 0.79 TSHR (0.60) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL4725194 0.78 TDP1 (0.48) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL4725240 0.78 TDP1 (0.48) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL102957 0.78 MAPT (0.49) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL29483006 0.78 TDP1 (0.48) TDP1SMN1; SMN2TSHRGPR35HSD17B10
SCHEMBL28035882 0.78 TDP1 (0.48) TDP1SMN1; SMN2TSHRGPR35HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO disclosed
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-7642277-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed