SCHEMBL7379356

SCHEMBL7379356

CC(CC#N)c1ccc(SSc2ccc(C(C)CC#N)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
PBRM1 Q86U86 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
MIF P14174 1/20 0.30

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
SCHEMBL18602333 0.86 SLC6A4 (0.44) MAOA
SCHEMBL12303200 0.86 SLC6A4 (0.44) MAOA
SCHEMBL21415751 0.83 SLC6A4 (0.43) ESR1ESR2PBRM1MAOAMAOB
SCHEMBL626140 0.79 ACHE (0.44) ESR1ESR2PBRM1GRIA4
SCHEMBL7383413 0.78 PBRM1 (0.33) PBRM1
SCHEMBL25343596 0.78 ADRB2 (0.45) ESR1ESR2PBRM1
SCHEMBL16992759 0.78 ALDH1A1 (0.38) ESR1ESR2PBRM1
SCHEMBL9451732 0.78 PYCR1 (0.41) ESR1ESR2PBRM1
SCHEMBL16992752 0.78 ALDH1A1 (0.38) ESR1ESR2PBRM1
SCHEMBL16992757 0.78 ALDH1A1 (0.38) ESR1ESR2PBRM1

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
WO-1997042168-A1 THIO DERIVATIVES OF HYDROXAMIC ACIDS ZENECA LIMITED (GB) 1997-11-13 WO disclosed