SCHEMBL7632306

SCHEMBL7632306

Clc1[c]ccc(Cn2cccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.48
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
BRD4 O60885 2/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 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
SCHEMBL25421260 0.81 HTT (0.48) GAAMAPTHTTHDAC1HDAC6
SCHEMBL1569847 0.80 MAPT (0.56) GAAMAPTHTTHDAC1HDAC6
SCHEMBL14256403 0.76 HTT (0.68) GAAMAPTHTTHDAC1HDAC6
SCHEMBL30046565 0.76 HTT (0.59) GAAMAPTHTTHDAC1HDAC6
SCHEMBL18235820 0.76 GAA (0.59) GAAMAPTHTTHDAC1HDAC6
SCHEMBL16347168 0.76 HTT (0.59) GAAMAPTHTTHDAC1HDAC6
SCHEMBL3397894 0.74 GAA (0.67) GAAMAPTHTTHDAC1HDAC6
SCHEMBL15790593 0.74 GAA (0.62) GAAMAPTHTTHDAC1HDAC6
SCHEMBL324202 0.74 MAPT (0.61) GAAMAPTHTTHDAC1HDAC6
SCHEMBL14987118 0.72 HTT (0.59) GAAMAPTHTTHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754683-B1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL CO (JP) 2002-08-14 EP disclosed
US-5684022-A ANTIFERTILITY AGENT PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-11-04 US disclosed
EP-0754683-A1 ETHER COMPOUND, USE THEREOF, AND INTERMEDIATE FOR PRODUCING THE COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-01-22 EP disclosed