SCHEMBL8369010

SCHEMBL8369010

Cc1cccc([N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.62
TSHR P16473 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.50
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.47
FBP1 P09467 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
FABP4 P15090 1/20 0.44

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
SCHEMBL6051840 0.86 TSHR (0.69) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL28221727 0.86 TDP1 (0.63) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL27930468 0.86 TSHR (0.55) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL3534700 0.84 TSHR (0.53) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL3191298 0.81 TDP1 (0.53) HSD17B10SMN1; SMN2TDP1L3MBTL1ALDH1A1
SCHEMBL19608973 0.81 HSD17B10 (0.62) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL15876114 0.80 HSD17B10 (0.51) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL6174336 0.80 MAPK1 (0.52) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL3537454 0.80 TSHR (0.49) HSD17B10TSHRSMN1; SMN2TDP1L3MBTL1
SCHEMBL9444834 0.79 TDP1 (0.71) TSHRSMN1; SMN2TDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113307772-A Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2021-08-27 CN disclosed
EP-0794789-A4 INHIBITORS OF PRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-05-26 EP disclosed
EP-0794789-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-09-17 EP disclosed
WO-1996021456-A1 INHIBITORS OF PRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1996-07-18 WO disclosed