SCHEMBL8033919

SCHEMBL8033919

FC(F)(F)c1cc(-c2csc(Sc3nnc(CCc4ccccc4)s3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
EIF4E P06730 1/20 0.37
LTA4H P09960 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
QPCT Q16769 2/20 0.35
C1S P09871 1/20 0.35
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.33
QPCTL Q9NXS2 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALOX5 P09917 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33

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
SCHEMBL8043455 0.90 LTA4H (0.42) EIF4ELTA4HMEN1KMT2AKDM4E
SCHEMBL8033029 0.85 ATM (0.49) ATMLTA4HMEN1KMT2AKDM4E
SCHEMBL8048125 0.84 CTSK (0.41) EIF4ELTA4HKMT2AALDH1A1RAB9A
SCHEMBL8044775 0.84 EIF4E (0.33) EIF4ELTA4HMEN1KMT2AKDM4E
SCHEMBL8050843 0.84 CTSS (0.38) EIF4ELTA4HALDH1A1ALOX5
SCHEMBL8052850 0.83 KMT2A (0.43) EIF4EMEN1KMT2AKDM4EALDH1A1
SCHEMBL8050203 0.83 RXRA (0.41) EIF4EMEN1KMT2AKDM4EALDH1A1
SCHEMBL8033655 0.82 EIF4E (0.34) EIF4ELTA4HMEN1KMT2AKDM4E
SCHEMBL8046557 0.82 CTSS (0.35) EIF4ELTA4HMEN1KMT2AKDM4E
SCHEMBL8033608 0.81 EIF4E (0.40) EIF4EMEN1KMT2AKDM4EALDH1A1

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