SCHEMBL29939627

SCHEMBL29939627

Nc1cc(F)c(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.43
KDM1B Q8NB78 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 3/20 0.35
CYP3A4 P08684 3/20 0.35
TP53 P04637 1/20 0.35
CD44 P16070 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
MAPT P10636 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
MAPK1 P28482 1/20 0.33
SLC6A4 P31645 1/20 0.33
FADS1 O60427 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
CA12 O43570 2/20 0.32

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
SCHEMBL1397082 1.00 KDM1A (0.43) KDM1AKDM1BGAAALDH1A1TDP1
SCHEMBL8492289 0.89 GAA (0.50) KDM1AKDM1BGAAALDH1A1TDP1
SCHEMBL29659108 0.89 GAA (0.50) KDM1AKDM1BGAAALDH1A1TDP1
SCHEMBL14578394 0.86 GAA (0.53) KDM1AKDM1BGAAALDH1A1TSHR
SCHEMBL1477638 0.86 GAA (0.53) KDM1AKDM1BGAAALDH1A1TSHR
SCHEMBL404239 0.86 GAA (0.53) KDM1AKDM1BGAAALDH1A1TDP1
SCHEMBL30573328 0.86 GAA (0.53) KDM1AKDM1BGAAALDH1A1TSHR
SCHEMBL12478277 0.83 GAA (0.67) KDM1AKDM1BGAAALDH1A1TDP1
SCHEMBL30574196 0.83 GAA (0.58) KDM1AKDM1BGAAALDH1A1TDP1
SCHEMBL6666210 0.83 GAA (0.58) KDM1AKDM1BGAAALDH1A1TSHR

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-116283712-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2023-06-23 CN disclosed
CN-116036078-A (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2023-05-02 CN disclosed
CN-110121499-B (aza) indole-, benzothiophene-and benzofuran-3-sulfonamides 优时比制药有限公司 2022-12-20 CN disclosed
CN-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed