SCHEMBL28599530

SCHEMBL28599530

Clc1ccc2sc(-c3ccccc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
NFKB1 P19838 5/20 0.55
NFKB2 Q00653 5/20 0.55
RELA Q04206 5/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
HPGD P15428 3/20 0.55
STAT1 P42224 1/20 0.55
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
GAA P10253 3/20 0.53
PKM P14618 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
GLA P06280 1/20 0.53
SENP7 Q9BQF6 2/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL28501886 0.88 RAB9A (0.50) KDM4ENFKB1NFKB2RELANPC1
SCHEMBL2136232 0.86 APP (0.68) KDM4ENFKB1NFKB2RELANPC1
SCHEMBL8704440 0.85 KDM4E (0.60) KDM4ENFKB1NFKB2RELANPC1
SCHEMBL31145129 0.85 KDM4E (0.60) KDM4ENFKB1NFKB2RELANPC1
SCHEMBL4604185 0.83 MAPT (0.76) KDM4ENFKB1NFKB2RELANPC1
SCHEMBL12470432 0.83 MAPT (0.61) KDM4ENFKB1NFKB2RELANPC1
SCHEMBL24366502 0.83 NPC1 (0.66) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL12470554 0.82 HTT (0.61) KDM4ENPC1RAB9ADRD4DRD3
SCHEMBL12470791 0.82 BACE1 (0.53) KDM4ENFKB1NFKB2RELANPC1
SCHEMBL30399025 0.82 SMN1; SMN2 (0.49) KDM4ENFKB1NFKB2RELANPC1

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-108250157-B Method for synthesizing N- [2- (2-arylbenzothiazole) ] -amide under catalysis of rhodium 江西师范大学 2021-12-21 CN disclosed
CN-113105412-A Method for synthesizing benzothiazole compound 天津理工大学 2021-07-13 CN disclosed