SCHEMBL8042764

SCHEMBL8042764

CCOC(=O)Cc1nnc(Sc2ncc(S(C)(=O)=O)s2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 4/20 0.40
USP2 O75604 2/20 0.40
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
AKT1 P31749 1/20 0.38
IRS1 P35568 1/20 0.38
GAB1 Q13480 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8051075 0.89 ALDH1A1 (0.35) SMN1; SMN2POLBHSD17B10MAPTALDH1A1
SCHEMBL8043583 0.84 AKT1 (0.33) GAAAKT1IRS1GAB1
SCHEMBL8043647 0.83 F2 (0.40) ALDH1A1RAB9A
SCHEMBL8042807 0.82 MEN1 (0.44) SMN1; SMN2POLBUSP2HSD17B10MEN1
SCHEMBL8043817 0.81 MAPK8 (0.37) MEN1KMT2AMAPTALDH1A1AKT1
SCHEMBL8044449 0.81 SMN1; SMN2 (0.43) SMN1; SMN2POLBUSP2HSD17B10MEN1
SCHEMBL8042354 0.80 MAPK8 (0.34)
SCHEMBL8033917 0.79 MAPK8 (0.56) SMN1; SMN2POLBUSP2HSD17B10MEN1
SCHEMBL8041884 0.78 MAPK8 (0.36) ALDH1A1TSHRRAB9A
SCHEMBL8044039 0.78 ALDH1A1 (0.37) SMN1; SMN2POLBHSD17B10MEN1KMT2A

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