SCHEMBL8044252

SCHEMBL8044252

FC(F)(F)c1cc(-c2csc(Sc3nnc(-c4ccccn4)n3-c3ccccc3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRK1 P41145 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.38
LRRK2 Q5S007 1/20 0.38
EIF4E P06730 1/20 0.36
NPY5R Q15761 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35
TERT O14746 2/20 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
SCHEMBL8032636 0.87 ATM (0.47) ATMSMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL8033827 0.85 TSHR (0.52) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL8032500 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL8044765 0.82 RPA1 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL8050081 0.82 TSHR (0.48) ATMSMN1; SMN2TSHRHTTTERT
SCHEMBL8051011 0.81 EIF4E (0.35) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL8051217 0.81 EIF4E (0.36) SMN1; SMN2ALDH1A1KDM4EKMT2ATSHR
SCHEMBL8032690 0.81 KDM4E (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL8051302 0.79 ATM (0.48) ATMSMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL8050964 0.79 ALPG (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A

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