SCHEMBL28069342

SCHEMBL28069342

COC(=O)c1cccnc1Oc1ccc(Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.76
RAB9A P51151 1/20 0.70
POLB P06746 3/20 0.57
L3MBTL1 Q9Y468 4/20 0.54
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
MAPK8 P45983 1/20 0.53
MAPK1 P28482 1/20 0.51
DRD1 P21728 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL20818012 0.87 TDP1 (1.00) TDP1RAB9APOLBKDM4EALDH1A1
SCHEMBL7373227 0.86 TDP1 (0.76) TDP1RAB9AALDH1A1MAPTGAA
SCHEMBL620646 0.86 TDP1 (0.76) TDP1RAB9AALDH1A1MAPTMAPK8
SCHEMBL10976046 0.85 TDP1 (0.67) TDP1RAB9APOLBALDH1A1MAPK8
SCHEMBL2779334 0.84 RAB9A (0.76) TDP1RAB9APOLBL3MBTL1KDM4E
SCHEMBL2924686 0.84 RAB9A (0.76) TDP1RAB9APOLBL3MBTL1KDM4E
SCHEMBL5749934 0.83 TDP1 (0.72) TDP1RAB9AL3MBTL1ALDH1A1MAPT
SCHEMBL28734386 0.83 TDP1 (0.72) TDP1RAB9AKDM4EALDH1A1DRD1
SCHEMBL28662140 0.82 RAB9A (1.00) TDP1RAB9APOLBL3MBTL1KDM4E
SCHEMBL27653419 0.82 TDP1 (0.67) TDP1RAB9AKDM4EALDH1A1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106543167-B Isothiazole compound and application thereof 沈阳中化农药化工研发有限公司 2021-12-03 CN disclosed
CN-105732585-B Replace fragrant oxy picolinate class compound and application thereof 沈阳中化农药化工研发有限公司 2019-03-01 CN disclosed
CN-105732585-A Substituted aryloxypyridine compound and application thereof 沈阳中化农药化工研发有限公司 2016-07-06 CN disclosed