SCHEMBL13574337

SCHEMBL13574337

CCOC(=O)c1cc(-c2ccccc2Cl)c(-c2ccc(Cl)cc2)nc1CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
CDC7 O00311 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 2/20 0.41
DHODH Q02127 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
GCGR P47871 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL4511779 0.90 MAPT (0.48) HSD17B10CDC7DBF4CYP4F2CYP4A11
SCHEMBL13574329 0.88 HSD17B10 (0.57) HSD17B10CDC7DBF4SMN1; SMN2ALDH1A1
SCHEMBL14252657 0.82 ALDH1A1 (0.53) HSD17B10SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL20806332 0.81 KDM4E (0.49) HSD17B10SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4805155 0.80 CNR1 (0.47) HSD17B10CDC7DBF4SMN1; SMN2ALDH1A1
SCHEMBL4681530 0.78 TARBP2 (0.54) HSD17B10CYP4F2CYP4A11SMN1; SMN2ALDH1A1
SCHEMBL4515129 0.78 HSD17B10 (0.58) HSD17B10CDC7DBF4SMN1; SMN2ALDH1A1
SCHEMBL4514685 0.76 HSD17B10 (0.43) HSD17B10CDC7DBF4SMN1; SMN2KDM4E
SCHEMBL20806339 0.76 TSHR (0.58) HSD17B10CDC7DBF4CYP4F2CYP4A11
SCHEMBL4509242 0.76 MAPT (0.47) HSD17B10CDC7DBF4SMN1; SMN2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009153569-A2 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2009-12-23 WO disclosed