SCHEMBL8043670

SCHEMBL8043670

CCn1nnnc1Sc1nc2ccc(S(C)(=O)=O)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 7/20 0.41
ACP1 P24666 1/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
CLK1 P49759 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
ILK Q13418 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL8042747 0.92 PKM (0.42) PKMKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8051850 0.90 PKM (0.41) PKMKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8043976 0.88 KDM4E (0.43) PKMKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8042716 0.87 ALDH1A1 (0.52) PKMKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8033856 0.85 PKM (0.46) PKMKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8033934 0.85 ALDH1A1 (0.45) PKMKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8041894 0.85 PKM (0.39) PKMKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8043502 0.85 PKM (0.39) PKMKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8042678 0.84 CSNK1D (0.48) PKMKMT2ASMN1; SMN2MAPTLMNA
SCHEMBL8047478 0.83 PKM (0.44) PKMKMT2ASMN1; SMN2MAPTLMNA

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