SCHEMBL8042745

SCHEMBL8042745

Clc1ccc(-c2csc(Sc3nnc(-c4cc5ccccc5s4)n3-c3ccccc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.47
SIRT2 Q8IXJ6 2/20 0.39
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
METAP2 P50579 1/20 0.36
PLAU P00749 1/20 0.36
AR P10275 1/20 0.36
ALOX5 P09917 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35

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 0.93 RPA1 (0.46) RPA1TSHRNPSR1HTTKDM4E
SCHEMBL8044765 0.84 RPA1 (0.41) RPA1TSHRNPSR1HTTKDM4E
SCHEMBL8051082 0.84 TSHR (0.55) TSHRNPSR1LMNAHTTKDM4E
SCHEMBL8042687 0.83 RPA1 (0.48) RPA1TSHRNPSR1HTTKDM4E
SCHEMBL8050081 0.80 TSHR (0.48) SIRT2TSHRNPSR1LMNAHTT
SCHEMBL8046211 0.79 RPA1 (0.48) RPA1TSHRNPSR1LMNAHTT
SCHEMBL8049440 0.79 RPA1 (0.51) RPA1SIRT2TSHRKDM4EHSD17B10
SCHEMBL8052083 0.78 ALDH1A1 (0.47) SIRT2TSHRNPSR1LMNAHTT
SCHEMBL8044879 0.78 RPA1 (0.47) RPA1TSHRNPSR1HTTKDM4E
SCHEMBL8716316 0.78 TP53 (0.54) SIRT2TSHRNPSR1LMNAHTT

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