SCHEMBL8043141

SCHEMBL8043141

CCCCn1nnc(Sc2nc3ccc(S(C)(=O)=O)cc3s2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41
ALDH1A1 P00352 7/20 0.39
ACP1 P24666 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HPGD P15428 2/20 0.38
WNT3A P56704 1/20 0.38
MEN1 O00255 1/20 0.38
CLK1 P49759 1/20 0.37
CA2 P00918 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 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
SCHEMBL8047172 0.94 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8041873 0.90 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8045221 0.85 ALDH1A1 (0.45) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8044433 0.84 KMT2A (0.47) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8042780 0.84 KDM4E (0.43) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8049876 0.83 PDK1 (0.52) SMN1; SMN2KMT2ALMNAMAPTHTT
SCHEMBL8045286 0.83 KMT2A (0.46) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8052342 0.82 HCAR3 (0.43) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8046519 0.82 HSP90AA1 (0.49) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8051850 0.80 PKM (0.41) SMN1; SMN2KMT2ALMNATP53MAPT

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