SCHEMBL8044516

SCHEMBL8044516

CS(=O)(=O)c1ccc2nc(Sc3nnnn3-c3cccnc3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37

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
SCHEMBL8052304 0.89 ALDH1A1 (0.49) PTGS2KMT2AHTTMAPTLMNA
SCHEMBL8033160 0.83 PKM (0.51) PTGS2KMT2AHTTMAPTLMNA
SCHEMBL8048328 0.83 PKM (0.41) PTGS2KMT2AHTTMAPTLMNA
SCHEMBL8033702 0.83 CA2 (0.51) KMT2AHTTMAPTLMNASMN1; SMN2
SCHEMBL8032424 0.83 PKM (0.45) PTGS2KMT2AHTTMAPTLMNA
SCHEMBL8042814 0.83 PTGS2 (0.40) PTGS2KMT2AHTTMAPTLMNA
SCHEMBL8050176 0.82 PTGS2 (0.53) PTGS2KMT2AMAPTLMNASMN1; SMN2
SCHEMBL8047485 0.82 HPGD (0.47) KMT2AHTTMAPTLMNATP53
SCHEMBL8035046 0.82 PTGS2 (0.53) PTGS2KMT2AHTTMAPTLMNA
SCHEMBL8045105 0.82 ALDH1A1 (0.40) PTGS2KMT2AHTTMAPTLMNA

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