SCHEMBL8045832

SCHEMBL8045832

Clc1ccc(-c2csc(Sc3nnnn3Cc3cccs3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.42
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 3/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RORC P51449 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.37
KDM1A O60341 1/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36

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
SCHEMBL8713674 0.97 LMNA (0.40) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL8050306 0.90 LMNA (0.41) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL8046147 0.86 ALDH1A1 (0.42) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL8043207 0.82 MAPT (0.44) LMNAALDH1A1MAPTMAPK1HSD17B10
SCHEMBL8043763 0.82 ALDH1A1 (0.40) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL8047667 0.81 LMNA (0.40) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL8044646 0.80 ALDH1A1 (0.52) LMNAALDH1A1MAPTMAPK1HTT
SCHEMBL8032682 0.80 TSHR (0.45) LMNAALDH1A1MAPK1HTTKMT2A
SCHEMBL8711210 0.79 HTT (0.41) LMNAALDH1A1MAPTHTTHSD17B10
SCHEMBL8042146 0.79 KDM4E (0.42) LMNAMAPTHTTKMT2AMEN1

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