SCHEMBL18545995

SCHEMBL18545995

COc1ccc(N(C)S(=O)(=O)c2cc(Br)ccc2OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ADRB2 P07550 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
GLA P06280 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 2/20 0.47
PGR P06401 2/20 0.47
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP2C9 P11712 1/20 0.43

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
SCHEMBL23846530 0.82 TSHR (0.50) TSHRALDH1A1MAPK1GLASMN1; SMN2
SCHEMBL7535289 0.81 ALDH1A1 (0.54) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL15053746 0.81 TSHR (0.69) TSHRALDH1A1MAPK1GLASMN1; SMN2
SCHEMBL18546037 0.80 PGR (0.51) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL31525238 0.78 TSHR (0.67) TSHRALDH1A1MAPK1GLASMN1; SMN2
SCHEMBL23833704 0.78 TSHR (0.49) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL15052896 0.78 TSHR (0.66) TSHRALDH1A1MAPK1GLASMN1; SMN2
SCHEMBL15480593 0.77 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL18545993 0.77 ALDH1A1 (0.58) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL15212006 0.75 ALPL (0.63) TSHRALDH1A1MAPK1SMN1; SMN2KMT2A

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
WO-2017030987-A9 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE MYELOMA THE BROAD INSTITUTE, INC. (US) 2018-07-12 WO disclosed
WO-2017030987-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE MYELOMA THE BROAD INSTITUTE, INC. (US) 2017-02-23 WO disclosed