SCHEMBL8050176

SCHEMBL8050176

COc1ccc(-n2nnnc2Sc2nc3ccc(S(C)(=O)=O)cc3s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.53
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 6/20 0.48
RAB9A P51151 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
PTGS1 P23219 2/20 0.43
PDK1 Q15118 1/20 0.42
KDM1A O60341 1/20 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
SCHEMBL8050410 0.90 ALDH1A1 (0.46) PTGS2KMT2AALDH1A1RAB9AMAPT
SCHEMBL8048328 0.88 PKM (0.41) PTGS2KMT2AALDH1A1RAB9AMAPT
SCHEMBL8033160 0.88 PKM (0.51) PTGS2KMT2AALDH1A1MAPTHPGD
SCHEMBL8052304 0.88 ALDH1A1 (0.49) PTGS2KMT2AALDH1A1RAB9AMAPT
SCHEMBL8032424 0.87 PKM (0.45) PTGS2KMT2AALDH1A1MAPTHPGD
SCHEMBL8035046 0.86 PTGS2 (0.53) PTGS2KMT2AALDH1A1MAPTHPGD
SCHEMBL8045105 0.86 ALDH1A1 (0.40) PTGS2KMT2AALDH1A1RAB9AMAPT
SCHEMBL8043014 0.86 RECQL (0.49) PTGS2KMT2AALDH1A1RAB9AMAPT
SCHEMBL8042108 0.84 PDK1 (0.50) KMT2AALDH1A1RAB9AMAPTHPGD
SCHEMBL8042805 0.83 ALDH1A1 (0.48) KMT2AALDH1A1RAB9AMAPTHPGD

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