SCHEMBL8709884

SCHEMBL8709884

CC(C)(C)c1ccc(S(=O)(=O)NC(=O)C(Cc2cccc(OC(F)(F)F)c2)c2ccc3nsnc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NAMPT P43490 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
VNN1 O95497 1/20 0.39
TP53 P04637 1/20 0.37
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37
GCGR P47871 1/20 0.37
ADCY7 P51828 1/20 0.37
ADCY2 Q08462 1/20 0.37
ADCY1 Q08828 1/20 0.37

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
SCHEMBL8709039 0.93 BCL9 (0.40) MAPTSMN1; SMN2NAMPTMEN1KMT2A
SCHEMBL8705462 0.92 MAPT (0.44) MAPTSMN1; SMN2NAMPTMEN1KMT2A
SCHEMBL8711019 0.91 MAPT (0.43) MAPTSMN1; SMN2NAMPTMEN1KMT2A
SCHEMBL8706028 0.89 MAPT (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8709452 0.87 SMN1; SMN2 (0.43) MAPTSMN1; SMN2NAMPTMEN1KMT2A
SCHEMBL8705691 0.86 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2AADCY6
SCHEMBL8709132 0.86 EPHX2 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8709538 0.85 NR1H4 (0.42) MAPTSMN1; SMN2MEN1KMT2AGCGR
SCHEMBL8705645 0.85 MEN1 (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8709625 0.84 NLRP3 (0.43) MAPTSMN1; SMN2MEN1KMT2AMMP9

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-1998041515-A1 ENDOTHOLIN RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 1998-09-24 WO disclosed