SCHEMBL8044835

SCHEMBL8044835

CC(C)(C)c1nnc(Sc2ncc(C(=O)O)s2)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.38
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
RXRG P48443 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
MAPK1 P28482 1/20 0.34
VCP P55072 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL8046253 0.82 TSHR (0.35) RXRARXRBRXRGVCPALDH1A1
SCHEMBL8044746 0.82 RXRA (0.40) USP7RXRARXRBRXRGSMN1; SMN2
SCHEMBL8045350 0.81 SMN1; SMN2 (0.39) RXRARXRBRXRGSMN1; SMN2HTT
SCHEMBL8045179 0.81 TSHR (0.33) RXRARXRBRXRGMAPK1VCP
SCHEMBL8044168 0.80 MAPK8 (0.44) HTTNPSR1MAPK1ALDH1A1MEN1
SCHEMBL8052238 0.78 POLB (0.45) SMN1; SMN2HTTNPSR1HDAC6MAPK1
SCHEMBL8712945 0.78 TP53 (0.51) SMN1; SMN2CYP2C19HTTNPSR1MAPK1
SCHEMBL8034049 0.77 TSHR (0.58) SMN1; SMN2CYP2C9CYP2C19HTTNPSR1
SCHEMBL8043019 0.77 HDAC6 (0.38) RXRARXRBRXRGSMN1; SMN2CYP2C9
SCHEMBL8044772 0.76 MAPT (0.38) USP7RXRARXRBRXRGSMN1; SMN2

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