SCHEMBL28857521

SCHEMBL28857521

O=S(=O)(c1cccc(C(F)(F)F)c1)n1ccc2ccc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.57
HTR6 P50406 12/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL28207047 0.84 HTR6 (0.63) RORCHTR6MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL28207043 0.84 RORC (0.56) RORCHTR6MEN1KMT2AHTT
SCHEMBL30159156 0.81 HTR6 (0.68) HTR6MEN1KMT2AHTTL3MBTL1
SCHEMBL706426 0.81 HTR6 (0.68) HTR6MEN1KMT2AHTTL3MBTL1
SCHEMBL45741 0.80 HTR6 (0.63) RORCHTR6MEN1KMT2AHTT
SCHEMBL31319736 0.80 HTR6 (0.63) RORCHTR6MEN1KMT2AHTT
SCHEMBL3621863 0.79 HTR6 (0.50) RORCHTR6HTTCA1CA2
SCHEMBL1444197 0.77 HTR6 (0.61) RORCHTR6MEN1KMT2AHTT
SCHEMBL16619154 0.76 KDM4E (0.44) RORCHTR6HTTL3MBTL1PKM
SCHEMBL9270506 0.74 HTT (0.70) HTR6MEN1KMT2AHTTL3MBTL1

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
CN-105612150-B Sulfonylindole derivatives and process for producing the same 株式会社大熊制药 2018-04-10 CN disclosed