SCHEMBL8043738

SCHEMBL8043738

Cc1nc(Sc2nc3ccc(S(C)(=O)=O)cc3s2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
CLK1 P49759 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 2/20 0.42
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACP1 P24666 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL8042681 0.81 PDK1 (0.62) ILKSMN1; SMN2KMT2ALMNAHTT
SCHEMBL8032835 0.81 PKM (0.47) ILKSMN1; SMN2KMT2ALMNATP53
SCHEMBL8051673 0.81 SCD (0.46) ILKSMN1; SMN2KMT2ALMNATP53
SCHEMBL8044884 0.79 PKM (0.50) ILKSMN1; SMN2KMT2ALMNATP53
SCHEMBL8050079 0.79 ILK (0.51) ILKSMN1; SMN2KMT2ALMNATP53
SCHEMBL8044071 0.77 ALDH1A1 (0.51) KMT2ATP53MAPTALDH1A1HPGD
SCHEMBL8043189 0.76 PKM (0.47) ILKSMN1; SMN2KMT2ALMNATP53
SCHEMBL8044433 0.75 KMT2A (0.47) ILKSMN1; SMN2KMT2ALMNATP53
SCHEMBL11605260 0.75 KMT2A (0.58) ILKSMN1; SMN2KMT2ALMNATP53
SCHEMBL12799099 0.74 ALDH1A1 (0.59) ILKSMN1; 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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed