SCHEMBL5237285

SCHEMBL5237285

CC(=O)CCc1c(Br)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.40
NCEH1 Q6PIU2 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CASP3 P42574 1/20 0.38

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
SCHEMBL5233007 0.91 CYP1A2 (0.42) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL2125547 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL5236476 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL8035089 0.78 HSD17B10 (0.46) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL5233831 0.77 HPGD (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL2369777 0.77 KDM4E (0.47) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL1913995 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL8988212 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL11140752 0.75 NCEH1 (0.50) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL16260132 0.75 KDM4E (0.59) ALDH1A1KDM4EHPGDGAAHSD17B10

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