SCHEMBL8044696

SCHEMBL8044696

c1ccc(-c2csc(Sc3nnnn3-c3cccs3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
RAB9A P51151 4/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
ALDH1A1 P00352 9/20 0.38
LMNA P02545 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSD17B10 Q99714 3/20 0.38
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 3/20 0.37
NFKB1 P19838 2/20 0.37

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
SCHEMBL8711210 0.93 HTT (0.41) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8047667 0.90 LMNA (0.40) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8044812 0.85 ALDH1A1 (0.52) HTTRAB9AUBE2MDCUN1D1ALDH1A1
SCHEMBL8044497 0.83 HTT (0.33) HTTALDH1A1KMT2AMAPTMEN1
SCHEMBL8047340 0.82 ALDH1A1 (0.40) HTTRAB9AHTR1AHTR2AHTR7
SCHEMBL8050384 0.82 HTT (0.38) HTTRAB9AHTR1AHTR2AHTR7
SCHEMBL8043601 0.81 ALDH1A1 (0.37) HTTRAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL8043970 0.81 KMT2A (0.43) HTTRAB9AHTR1AHTR2AHTR7
SCHEMBL8044629 0.81 ALDH1A1 (0.39) HTTRAB9AHTR1AHTR2AHTR7
SCHEMBL8050306 0.80 LMNA (0.41) HTTRAB9AHTR1AHTR2AHTR7

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