SCHEMBL21697652

SCHEMBL21697652

Cc1c(C(O)c2cc3ccccc3s2)cc(Br)c(OCc2ccccc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.38
THRA P10827 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.36
SENP5 Q96HI0 1/20 0.35
SENP2 Q9HC62 1/20 0.35
SENP1 Q9P0U3 1/20 0.35
GLRA1 P23415 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BLM P54132 1/20 0.34
DHODH Q02127 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL16020861 0.85 THRA (0.34) THRBTHRASMN1; SMN2GAAMEN1
SCHEMBL21697575 0.84 THRB (0.38) THRBTHRASMN1; SMN2GAAMAPT
SCHEMBL21697612 0.83 SMN1; SMN2 (0.37) SMN1; SMN2MAPTHPGDKDM4ETDP1
SCHEMBL16018689 0.80 ALOX5 (0.40) GAA
SCHEMBL20741824 0.80 ABCB1 (0.41) THRBSMN1; SMN2GAAMAPTHPGD
SCHEMBL21697537 0.77 MRGPRX4 (0.36) SMN1; SMN2DRD1SLC6A2SLC6A4SLC6A3
SCHEMBL21697653 0.77 CYP2A6 (0.40) THRBTHRASMN1; SMN2GAAMAPT
SCHEMBL21697645 0.76 HTR2A (0.37) SMN1; SMN2MEN1KMT2ADRD1SLC6A2
SCHEMBL16018597 0.73 ALOX5 (0.40) GAA
SCHEMBL21697564 0.73 FFAR1 (0.37) SMN1; SMN2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968258-B1 DUAL SGLT1/SGLT2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-02-12 EP disclosed