SCHEMBL8043954

SCHEMBL8043954

Cc1csc(Sc2n[nH]c(-c3cccs3)n2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
GRK6 P43250 2/20 0.51
HPGD P15428 8/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL8032795 0.81 HPGD (0.56) KDM4EGRK6HPGDALDH1A1CYP1A2
SCHEMBL8043319 0.80 KDM4E (0.53) KDM4EGRK6HPGDALDH1A1CYP1A2
SCHEMBL8042216 0.78 KDM4E (0.46) KDM4EGRK6HPGDALDH1A1CYP1A2
SCHEMBL8044866 0.77 GRK6 (0.62) KDM4EGRK6HPGDALDH1A1CYP1A2
SCHEMBL8043421 0.76 KDM4E (0.50) KDM4EGRK6HPGDALDH1A1CYP1A2
SCHEMBL8042995 0.75 KDM4E (0.49) KDM4EGRK6HPGDALDH1A1CYP1A2
SCHEMBL8042483 0.75 KDM4E (0.49) KDM4EGRK6HPGDALDH1A1CYP1A2
SCHEMBL8048057 0.75 RAB9A (0.39) KDM4EHPGDALDH1A1MAPTL3MBTL1
SCHEMBL8043204 0.74 KDM4E (0.46) KDM4EGRK6HPGDALDH1A1CYP1A2
SCHEMBL8032725 0.74 PPARG (0.44) KDM4EGRK6HPGDALDH1A1CYP1A2

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 1 patent. 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