SCHEMBL8043204

SCHEMBL8043204

CC(C)(C)c1nc(Sc2n[nH]c(-c3cccs3)n2)sc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
GRK6 P43250 2/20 0.45
HPGD P15428 8/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 2/20 0.34
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL8043421 0.84 KDM4E (0.50) KDM4EGRK6HPGDCYP1A2CYP3A4
SCHEMBL8050939 0.75 KMT2A (0.41) KDM4EHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL8033105 0.75 POLB (0.33) ALDH1A1SMN1; SMN2
SCHEMBL8043954 0.74 KDM4E (0.52) KDM4EGRK6HPGDCYP1A2CYP3A4
SCHEMBL8047025 0.74 GRK6 (0.52) KDM4EGRK6HPGDCYP1A2CYP3A4
SCHEMBL8042995 0.74 KDM4E (0.49) KDM4EGRK6HPGDCYP1A2CYP3A4
SCHEMBL8043319 0.73 KDM4E (0.53) KDM4EGRK6HPGDCYP1A2CYP3A4
SCHEMBL8049958 0.73 KDM4E (0.46) KDM4EGRK6HPGDCYP1A2CYP3A4
SCHEMBL8044857 0.72 KDM4E (0.53) KDM4EHPGDCYP3A4ALDH1A1MAPT
SCHEMBL8042483 0.71 KDM4E (0.49) KDM4EGRK6HPGDCYP1A2CYP3A4

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