SCHEMBL9745202

SCHEMBL9745202

CC(C)N(CCSc1nc(-c2cccnc2)cs1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.55
HTR7 P34969 2/20 0.55
HTR2A P28223 1/20 0.55
DRD2 P14416 1/20 0.55
CYP19A1 P11511 10/20 0.47
AXL P30530 1/20 0.47
PBRM1 Q86U86 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
NPY5R Q15761 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GFER P55789 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL27709119 0.80 CYP19A1 (0.54) HTR1AHTR7HTR2ADRD2CYP19A1
SCHEMBL8127700 0.77 RAB9A (0.50) HTR1AHTR7HTR2ADRD2CYP19A1
SCHEMBL9090840 0.75 CYP19A1 (0.61) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL9090845 0.75 CYP19A1 (0.61) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL27709169 0.74 CYP19A1 (0.52) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL9571662 0.70 CYP19A1 (0.67) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL10022327 0.69 CYP19A1 (0.61) CYP19A1AXLPBRM1MKNK1MKNK2
Bromide SCHEMBL9342058 0.69 CYP19A1 (0.65) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL2759638 0.67 CYP19A1 (0.61) CYP19A1AXLPBRM1MKNK1MKNK2
SCHEMBL7998302 0.66 MAPK1 (0.63) CYP19A1AXLPBRM1MKNK1MKNK2

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-5171746-A THIAZOLE AND IMIDAZOLE DERIVATIVES AND ANTIULCER COMPOSITION CONTAINING SAME MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-12-15 US disclosed
EP-0452076-A1 Thiazole and imidazole derivatives and antiulcer composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-10-16 EP disclosed