SCHEMBL8041873

SCHEMBL8041873

CCn1nnc(Sc2nc3ccc(S(C)(=O)=O)cc3s2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
ALDH1A1 P00352 7/20 0.41
ACP1 P24666 1/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
WNT3A P56704 1/20 0.40
CLK1 P49759 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
THRB P10828 1/20 0.38

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 0.92 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8043141 0.90 SMN1; SMN2 (0.42) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8042780 0.88 KDM4E (0.43) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8045286 0.87 KMT2A (0.46) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8044433 0.85 KMT2A (0.47) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8045221 0.85 ALDH1A1 (0.45) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8034311 0.85 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8044118 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8045225 0.83 KMT2A (0.46) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8050314 0.82 PDK1 (0.56) SMN1; SMN2KMT2ALMNAMAPTHTT

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