SCHEMBL6602505

SCHEMBL6602505

CC(=O)Sc1cccc2cccc(Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.50
RXFP1 Q9HBX9 3/20 0.50
MAPT P10636 8/20 0.45
HPGD P15428 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.37

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
SCHEMBL28473331 0.79 MEN1 (0.50) POLBMAPTTDP1CA12CA1
SCHEMBL28469527 0.79 CA12 (0.57) POLBMAPTHPGDCA12CA1
SCHEMBL17628542 0.78 POLB (0.53) POLBRXFP1MAPTHPGDTDP1
SCHEMBL3070296 0.76 POLB (0.62) POLBRXFP1MAPTHPGDTDP1
SCHEMBL10815800 0.74 RXFP1 (0.44) POLBRXFP1MAPTHPGDTDP1
SCHEMBL24970183 0.73 ALDH1A1 (0.53) POLBRXFP1MAPTHPGDTDP1
SCHEMBL18242843 0.72 MEN1 (0.46) POLBRXFP1MAPTHPGDTDP1
SCHEMBL21694354 0.72 CA12 (0.53) MAPTHPGDTDP1CA12CA1
SCHEMBL27346021 0.71 CA12 (0.41) MAPTHPGDCA12CA1CA2
SCHEMBL28478487 0.71 POLB (0.47) POLBRXFP1MAPTHPGDTDP1

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-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 WO disclosed