SCHEMBL8042216

SCHEMBL8042216

Clc1ccc(-c2csc(Sc3n[nH]c(-c4cccs4)n3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GRK6 P43250 2/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.44
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
KDM1A O60341 1/20 0.39
ROCK2 O75116 1/20 0.39

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 0.89 HPGD (0.56) KDM4EGRK6MAPTALDH1A1L3MBTL1
SCHEMBL8032725 0.80 PPARG (0.44) KDM4EGRK6MAPTALDH1A1L3MBTL1
SCHEMBL8045613 0.78 RAB9A (0.44) KDM4EMAPTALDH1A1L3MBTL1HPGD
SCHEMBL8043954 0.78 KDM4E (0.52) KDM4EGRK6MAPTALDH1A1L3MBTL1
SCHEMBL8042483 0.75 KDM4E (0.49) KDM4EGRK6MAPTALDH1A1L3MBTL1
SCHEMBL8043319 0.74 KDM4E (0.53) KDM4EGRK6MAPTALDH1A1L3MBTL1
SCHEMBL8042995 0.72 KDM4E (0.49) KDM4EGRK6MAPTALDH1A1L3MBTL1
SCHEMBL8043471 0.71 KDM4E (0.41) KDM4EMAPTALDH1A1L3MBTL1HPGD
SCHEMBL8044866 0.71 GRK6 (0.62) KDM4EGRK6MAPTALDH1A1L3MBTL1
SCHEMBL8049958 0.71 KDM4E (0.46) KDM4EGRK6MAPTALDH1A1L3MBTL1

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