SCHEMBL28024924

SCHEMBL28024924

CCCCSc1cccc(C#N)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.52
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 1/20 0.38
PTGS2 P35354 4/20 0.38
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
TSHR P16473 3/20 0.34
PGR P06401 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL29601087 0.83 AR (0.50) ARMAPTTDP1THRBPTGS2
SCHEMBL8400694 0.83 AR (0.50) ARMAPTTDP1THRBPTGS2
SCHEMBL27652067 0.79 AR (0.44) ARMAPTTDP1THRBPTGS2
SCHEMBL8519336 0.79 PTGS2 (0.48) ARMAPTTDP1THRBPTGS2
SCHEMBL2980868 0.77 PTGS2 (0.49) ARPTGS2ALDH1A1HSD17B10L3MBTL1
SCHEMBL5983793 0.77 PTGS2 (0.49) ARPTGS2ALDH1A1HSD17B10L3MBTL1
SCHEMBL27976467 0.77 CYP1A2 (0.40) ARPGR
SCHEMBL28096615 0.75 AR (0.60) ARMAPTTDP1THRBALDH1A1
SCHEMBL27613330 0.75 MEN1 (0.42) ARMAPTTDP1THRBPTGS2
SCHEMBL9644566 0.74 MEN1 (0.44) ARMAPTTHRBPTGS2ALDH1A1

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-104803916-B Hete rocyclic derivatives as SARM (SARMS) 詹森药业有限公司 2017-08-11 CN disclosed
CN-104803916-A Novel heterocycle derivatives useful as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV 2015-07-29 CN disclosed