SCHEMBL8043961

SCHEMBL8043961

Cc1ccc(S(=O)(=O)Cc2nnc(Sc3nccs3)n2-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
PKM P14618 1/20 0.39
LMNA P02545 5/20 0.39
TSHR P16473 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 3/20 0.38
USP2 O75604 3/20 0.38
VCP P55072 1/20 0.37
MAPK1 P28482 1/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8034272 0.85 ALDH1A1 (0.41) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL8044438 0.82 ALDH1A1 (0.41) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL8052232 0.82 ALDH1A1 (0.43) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL8043682 0.81 HTT (0.50) ALDH1A1LMNATSHRSMN1; SMN2NPSR1
SCHEMBL8046773 0.81 PKM (0.41) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL8044246 0.80 ALDH1A1 (0.39) ALDH1A1PKMLMNASMN1; SMN2NPSR1
SCHEMBL8046037 0.80 NPC1 (0.42) ALDH1A1PKMLMNASMN1; SMN2NPSR1
SCHEMBL8032480 0.80 PKM (0.38) ALDH1A1PKMLMNATSHRSMN1; SMN2
SCHEMBL8033626 0.77 KMT2A (0.42) ALDH1A1LMNATSHRSMN1; SMN2NPSR1
SCHEMBL8042500 0.77 KDM4E (0.38) ALDH1A1LMNASMN1; SMN2NPSR1HTT

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed