SCHEMBL8032682

SCHEMBL8032682

Cc1csc(Sc2nnnn2Cc2cccs2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 10/20 0.40
ALOX15 P16050 1/20 0.40
ALPL P05186 1/20 0.38
ALPG P10696 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.36
USP2 O75604 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
SCHEMBL8047351 0.82 KMT2A (0.47) TSHRLMNAMAPK1HTTRAB9A
SCHEMBL8050306 0.82 LMNA (0.41) TSHRLMNAMAPK1SMN1; SMN2HTT
SCHEMBL8051539 0.80 L3MBTL1 (0.40) TSHRLMNAMAPK1SMN1; SMN2HTT
SCHEMBL8045832 0.80 LMNA (0.42) TSHRLMNAMAPK1SMN1; SMN2HTT
SCHEMBL8043765 0.80 L3MBTL1 (0.41) TSHRLMNAMAPK1SMN1; SMN2HTT
SCHEMBL8032361 0.79 ALDH1A1 (0.47) LMNASMN1; SMN2HTTNPC1TP53
SCHEMBL8033852 0.79 ALDH1A1 (0.39) TSHRLMNAMAPK1SMN1; SMN2HTT
SCHEMBL8043601 0.79 ALDH1A1 (0.37) TSHRLMNAMAPK1SMN1; SMN2HTT
SCHEMBL8048145 0.78 ALDH1A1 (0.55) TSHRLMNAMAPK1SMN1; SMN2HTT
SCHEMBL8713674 0.77 LMNA (0.40) TSHRLMNAMAPK1SMN1; SMN2HTT

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