SCHEMBL8042318

SCHEMBL8042318

CS(=O)(=O)c1ccc2nc(Sc3nnc(C(F)(F)F)s3)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
ACP1 P24666 1/20 0.41
ILK Q13418 1/20 0.40
WNT3A P56704 1/20 0.39
CLK1 P49759 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PPARA Q07869 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL8051553 0.89 ALDH1A1 (0.47) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8044884 0.83 PKM (0.50) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8046237 0.82 PKM (0.52) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8046298 0.80 PKM (0.47) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8051362 0.80 PKM (0.47) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8049853 0.79 PKM (0.46) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8044872 0.79 PDK1 (0.61) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8046571 0.78 PKM (0.45) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8033021 0.78 KMT2A (0.49) PKMKMT2ASMN1; SMN2LMNAHTT
SCHEMBL8045512 0.78 SMN1; SMN2 (0.46) PKMKMT2ASMN1; SMN2LMNATP53

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