SCHEMBL8046628

SCHEMBL8046628

Clc1ccc(-c2csc(Sc3nnn(CCc4ccccc4)n3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
ALOX5 P09917 1/20 0.40
PLAU P00749 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
RAB9A P51151 5/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
PRCP P42785 1/20 0.37
MGAM O43451 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
SCHEMBL8048789 0.92 HTR1A (0.45) ARHTR1AHTR2AHTR7RAB9A
SCHEMBL8051792 0.90 AR (0.43) ARALOX5PLAUHTR1AHTR2A
SCHEMBL8044982 0.84 MAPT (0.44) ARRAB9AMAPTNPC1CYP1A2
SCHEMBL8048046 0.82 MAPT (0.47) ARRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL8032624 0.82 RAB9A (0.49) ARHTR1AHTR2AHTR7RAB9A
SCHEMBL8044338 0.82 POLB (0.44) ARALOX5RAB9AMAPTNPC1
SCHEMBL8045490 0.82 EIF4E (0.36) ARHTR1AHTR2AHTR7RAB9A
SCHEMBL8042050 0.81 LMNA (0.42) HTR1AHTR2AHTR7RAB9AMAPT
SCHEMBL8042146 0.81 KDM4E (0.42) ARALOX5PLAURAB9AMAPT
SCHEMBL8049804 0.80 KMT2A (0.43) ARRAB9AMAPTNPC1SMN1; SMN2

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