SCHEMBL8050306

SCHEMBL8050306

c1ccc(-c2csc(Sc3nnnn3Cc3cccs3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 5/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
RORC P51449 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 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 0.94 LMNA (0.40) LMNASMN1; SMN2MAPK1MAPTRAB9A
SCHEMBL8045832 0.90 LMNA (0.42) LMNASMN1; SMN2MAPK1MAPTRAB9A
SCHEMBL8048583 0.86 ALDH1A1 (0.45) LMNASMN1; SMN2MAPK1RAB9AHTT
SCHEMBL8043763 0.84 ALDH1A1 (0.40) LMNASMN1; SMN2MAPK1MAPTHTT
SCHEMBL8032682 0.82 TSHR (0.45) LMNASMN1; SMN2MAPK1RAB9AHTT
SCHEMBL8043688 0.82 HTR1A (0.46) LMNASMN1; SMN2MAPK1MAPTRAB9A
SCHEMBL8034187 0.80 HTR1A (0.44) LMNASMN1; SMN2MAPK1MAPTRAB9A
SCHEMBL8044696 0.80 HTT (0.40) LMNASMN1; SMN2MAPK1MAPTRAB9A
SCHEMBL8046147 0.80 ALDH1A1 (0.42) LMNASMN1; SMN2MAPK1MAPTRAB9A
SCHEMBL8048145 0.80 ALDH1A1 (0.55) LMNASMN1; SMN2MAPK1MAPTRAB9A

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