SCHEMBL8041893

SCHEMBL8041893

Clc1ccc(-c2csc(Sc3nnc(-c4cccs4)n3-c3cccnc3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
KDM4E B2RXH2 6/20 0.45
HSD17B10 Q99714 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PTGS2 P35354 1/20 0.43
CYP19A1 P11511 1/20 0.41
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 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
SCHEMBL8034296 0.91 TSHR (0.58) TSHRKDM4EHSD17B10NPSR1MAPK1
SCHEMBL8051082 0.89 TSHR (0.55) TSHRKDM4EHSD17B10SMN1; SMN2NPSR1
SCHEMBL8050192 0.85 HSD17B10 (0.51) TSHRKDM4EHSD17B10SMN1; SMN2NPSR1
SCHEMBL8042852 0.84 TSHR (0.48) TSHRKDM4EHSD17B10NPSR1PTGS2
SCHEMBL8047569 0.83 TSHR (0.56) TSHRKDM4EHSD17B10SMN1; SMN2NPSR1
SCHEMBL8052217 0.82 LMNA (0.52) TSHRKDM4EHSD17B10SMN1; SMN2NPSR1
SCHEMBL8043215 0.82 HSD17B10 (0.48) TSHRKDM4EHSD17B10SMN1; SMN2NPSR1
SCHEMBL8044823 0.82 HSD17B10 (0.48) TSHRKDM4EHSD17B10SMN1; SMN2NPSR1
SCHEMBL8049124 0.82 TSHR (0.60) TSHRKDM4EHSD17B10SMN1; SMN2NPSR1
SCHEMBL8044980 0.81 HSD17B10 (0.57) TSHRKDM4EHSD17B10SMN1; SMN2NPSR1

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