SCHEMBL28070731

SCHEMBL28070731

COc1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 2/20 0.60
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAOB P27338 3/20 0.56
MAOA P21397 2/20 0.56
KCNJ1 P48048 1/20 0.55
KCNH2 Q12809 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC29A1 Q99808 1/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL3228582 0.83 APP (0.82) APPALDH1A1SMN1; SMN2MAOBMAOA
SCHEMBL5390877 0.83 MAPT (0.54) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL28532263 0.83 MAPT (0.61) ALDH1A1LMNAHTTMAPTSMN1; SMN2
SCHEMBL12952784 0.81 MAPT (0.47) ALDH1A1LMNAHTTNCOA1NCOA3
SCHEMBL31011691 0.81 ALDH1A1 (0.51) ALDH1A1LMNAHTTNCOA1NCOA3
SCHEMBL14880488 0.80 KCNJ1 (0.63) APPALDH1A1LMNAHTTNCOA1
SCHEMBL5791490 0.80 MAPT (0.59) APPALDH1A1LMNAHTTMAPT
SCHEMBL20328414 0.80 APP (0.70) APPALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL20328415 0.80 APP (0.70) APPALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL492221 0.80 APP (0.70) APPALDH1A1LMNAMAPTSMN1; SMN2

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
CN-105646396-B A kind of synthetic method of benzothiazole derivant 上海应用技术学院 2018-09-14 CN disclosed
CN-105646396-A Method for synthesizing benzothiazole derivatives 上海应用技术学院 2016-06-08 CN disclosed