SCHEMBL8043200

SCHEMBL8043200

FC(F)(F)c1cc(-c2csc(Sc3nnnn3-c3ccccc3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.43
LMNA P02545 8/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
TSHR P16473 6/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL8033936 0.92 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8037043 0.91 SMN1; SMN2 (0.39) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8043905 0.89 KDM4E (0.37) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8043675 0.89 KIT (0.39) ALDH1A1HTTHSD17B10TDP1GAA
SCHEMBL8043968 0.88 MEN1 (0.45) ALDH1A1LMNASMN1; SMN2MAPK1KMT2A
SCHEMBL8050838 0.88 KDM4E (0.36) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8041886 0.87 SMN1; SMN2 (0.45) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8047017 0.87 HSP90AA1 (0.44) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8043941 0.87 PTGS2 (0.37) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8046494 0.86 EP300 (0.42) ALDH1A1LMNASMN1; SMN2HTTMAPT

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