SCHEMBL8043502

SCHEMBL8043502

CN(C)CCCn1nnnc1Sc1nc2ccc(S(C)(=O)=O)cc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
ACP1 P24666 1/20 0.37
ILK Q13418 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
CA2 P00918 1/20 0.36
CLK1 P49759 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GFER P55789 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL8051850 0.89 PKM (0.41) PKMSMN1; SMN2KMT2ALMNATP53
SCHEMBL8042747 0.87 PKM (0.42) PKMSMN1; SMN2KMT2ALMNATP53
SCHEMBL8041894 0.87 PKM (0.39) PKMSMN1; SMN2KMT2ALMNATP53
SCHEMBL8043670 0.85 PKM (0.44) PKMSMN1; SMN2KMT2ALMNATP53
SCHEMBL8044829 0.84 PDK1 (0.49) SMN1; SMN2KMT2ALMNAMAPTHTT
SCHEMBL8033934 0.83 ALDH1A1 (0.45) PKMSMN1; SMN2KMT2ALMNATP53
SCHEMBL8050295 0.83 ALDH1A1 (0.39) SMN1; SMN2KMT2ALMNATP53MAPT
SCHEMBL8033677 0.82 ALDH1A1 (0.54) SMN1; SMN2KMT2ALMNAMAPTUBE2M
SCHEMBL8033856 0.82 PKM (0.46) PKMSMN1; SMN2KMT2ALMNATP53
SCHEMBL8043976 0.82 KDM4E (0.43) PKMSMN1; SMN2KMT2ALMNATP53

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