SCHEMBL7065648

SCHEMBL7065648

Cc1ccccc1[C](Cl)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.46
FFAR1 O14842 1/20 0.45
TSHR P16473 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 3/20 0.43
GPR52 Q9Y2T5 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
AKR1B1 P15121 1/20 0.40
POLB P06746 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
SCHEMBL7384694 0.79 TSHR (0.41) SMN1; SMN2GAAKMT2ATSHRHPGD
SCHEMBL9099802 0.78 SMN1; SMN2 (0.57) SMN1; SMN2GAAKMT2AFFAR1TSHR
SCHEMBL5971439 0.76 HPGD (0.49) GAAKMT2ATSHRHPGDL3MBTL1
SCHEMBL30394799 0.76 SMN1; SMN2 (0.60) SMN1; SMN2GAAKMT2AFFAR1TSHR
SCHEMBL1515738 0.76 SMN1; SMN2 (0.60) SMN1; SMN2GAAKMT2AFFAR1TSHR
SCHEMBL1533397 0.72 CES1 (0.48) GAAKMT2ATSHRMAPK1L3MBTL1
SCHEMBL1824047 0.71 SMN1; SMN2 (0.50) SMN1; SMN2GAAKMT2AFFAR1TSHR
SCHEMBL10823798 0.69 CES1 (0.50) GAAKMT2ATSHRMAPK1L3MBTL1
SCHEMBL66063 0.69 CES1 (0.50) KMT2ATSHRMAPK1L3MBTL1CES2
Phenylacetic Acid SCHEMBL28136536 0.68 AKR1B1 (0.77) SMN1; SMN2GAAFFAR1TSHRTRPM8

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-1313718-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES Biotie Therapies Corp. (FI) 2003-05-28 EP disclosed
WO-2002002090-A2 INHIBITORS OF COPPER-CONTAINING AMINE OXIDASES BIOTIE THERAPIES CORP. (FI) 2002-01-10 WO disclosed