SCHEMBL5236753

SCHEMBL5236753

CC(=O)Cc1cccc2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
MTNR1A P48039 10/20 0.44
MTNR1B P49286 9/20 0.44
NQO2 P16083 4/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
NPY5R Q15761 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
SCHEMBL31332133 0.85 TDP1 (0.64) MEN1KMT2ATDP1MTNR1AMTNR1B
SCHEMBL3581821 0.85 TDP1 (0.64) MEN1KMT2ATDP1MTNR1AMTNR1B
SCHEMBL9711167 0.84 MEN1 (0.47) MEN1KMT2ATDP1MTNR1AMTNR1B
SCHEMBL18015817 0.81 CYP2A6 (0.43) MEN1KMT2AMTNR1AMTNR1BCYP1A2
SCHEMBL27366928 0.81 MAPT (0.48) MEN1KMT2ATDP1
SCHEMBL5235807 0.81 TDP1 (0.45) MEN1KMT2ATDP1MTNR1AMTNR1B
SCHEMBL28843867 0.79 NQO2 (0.50) MEN1KMT2ATDP1MTNR1AMTNR1B
SCHEMBL30716622 0.79 TDP1 (0.69) MEN1KMT2ATDP1CYP1A2CYP2C19
SCHEMBL266575 0.79 TDP1 (0.69) MEN1KMT2ATDP1CYP1A2CYP2C19
SCHEMBL9711171 0.79 MEN1 (0.45) MEN1KMT2ATDP1CYP1A2CYP2C19

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
EP-1851232-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES Prosidion Limited (GB) 2007-11-07 EP disclosed
WO-2006085118-A2 DIHYDROIMIDAZOTHIAZOLE DERIVATIVES PROSIDION LIMITED (GB) 2006-08-17 WO disclosed