SCHEMBL8032795

SCHEMBL8032795

c1ccc(-c2csc(Sc3n[nH]c(-c4cccs4)n3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.56
CYP1A2 P05177 4/20 0.56
CYP3A4 P08684 4/20 0.56
CYP2C9 P11712 4/20 0.56
CYP2C19 P33261 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 2/20 0.56
CYP2D6 P10635 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GRK6 P43250 2/20 0.51
KDM4E B2RXH2 3/20 0.49
DCUN1D1 Q96GG9 3/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RAB9A P51151 1/20 0.41
ATR Q13535 1/20 0.40

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
SCHEMBL8042216 0.89 KDM4E (0.46) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8032725 0.83 PPARG (0.44) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8043954 0.81 KDM4E (0.52) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8050307 0.78 HTR1A (0.47) HPGDCYP3A4ALDH1A1MAPTMEN1
SCHEMBL8042995 0.78 KDM4E (0.49) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8043319 0.76 KDM4E (0.53) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8044866 0.76 GRK6 (0.62) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7796093 0.75 NR1H2 (0.62) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8043421 0.73 KDM4E (0.50) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8042483 0.72 KDM4E (0.49) HPGDCYP1A2CYP3A4CYP2C9CYP2C19

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