SCHEMBL8044959

SCHEMBL8044959

CS(=O)(=O)c1ccc2nc(Sc3nnc(-c4cccs4)n3-c3cccnc3)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK1D P48730 1/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.36
PTGS2 P35354 2/20 0.36
SCD O00767 1/20 0.36
VCP P55072 3/20 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
SCHEMBL8051920 0.91 TSHR (0.51) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8045522 0.86 PKM (0.44) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8051273 0.86 TSHR (0.42) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8044199 0.85 TSHR (0.41) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8051866 0.85 NPSR1 (0.46) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8032457 0.85 TSHR (0.41) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8052223 0.85 CA12 (0.46) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8048233 0.84 HSD17B10 (0.45) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8042345 0.84 TSHR (0.48) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8042111 0.84 TSHR (0.55) TSHRHSD17B10KDM4ESMN1; SMN2KMT2A

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