SCHEMBL8044765

SCHEMBL8044765

FC(F)(F)c1cc(-c2csc(Sc3nnc(-c4cc5ccccc5s4)n3-c3ccccc3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.41
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.37
EIF4E P06730 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
CYP19A1 P11511 1/20 0.33
PIK3CG P48736 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RECQL P46063 1/20 0.32
USP2 O75604 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
SCHEMBL8052292 0.89 RPA1 (0.46) RPA1TSHRALDH1A1MAPK1KDM4E
SCHEMBL8033827 0.87 TSHR (0.52) TSHRALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL8042745 0.84 RPA1 (0.47) RPA1TSHRALDH1A1MAPK1KDM4E
SCHEMBL8044252 0.82 ATM (0.41) TSHRALDH1A1MAPK1KDM4EEIF4E
SCHEMBL8042687 0.80 RPA1 (0.48) RPA1TSHRALDH1A1MAPK1KDM4E
SCHEMBL8032690 0.80 KDM4E (0.45) TSHRALDH1A1KDM4EHSD17B10EIF4E
SCHEMBL8032500 0.80 ALDH1A1 (0.42) TSHRALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL8042871 0.80 TSHR (0.44) TSHRALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL8051011 0.79 EIF4E (0.35) TSHRALDH1A1MAPK1KDM4EHSD17B10
SCHEMBL8051217 0.79 EIF4E (0.36) TSHRALDH1A1KDM4EHSD17B10EIF4E

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