SCHEMBL14944005

SCHEMBL14944005

Cc1ccc2c(c1)OC(I)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
MAOB P27338 6/20 0.32
MMP12 P39900 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
GAPDH P04406 1/20 0.31
POLB P06746 1/20 0.31
HSPA1A P0DMV8 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
PTPN7 P35236 1/20 0.31
BRCA1 P38398 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL7922402 0.78 CREBBP (0.39) BRD4CREBBPALDH1A1MAPTHSD17B10
SCHEMBL18708715 0.77 BRD4 (0.35) BRD4CREBBPALDH1A1MAPTHSD17B10
SCHEMBL13866108 0.76 BRD4 (0.37) BRD4CREBBPALDH1A1MAPTHSD17B10
SCHEMBL27590553 0.73 BRD4 (0.36) BRD4CREBBPALDH1A1MAPTHSD17B10
SCHEMBL12984932 0.71 PARP1 (0.41) BRD4CREBBPALDH1A1MAPTHSD17B10
SCHEMBL22791448 0.67 CREBBP (0.46) BRD4CREBBPALDH1A1MAPTHSD17B10
SCHEMBL9845271 0.67 AR (0.41) BRD4CREBBPALDH1A1MAPTHSD17B10
SCHEMBL7345041 0.67 CREBBP (0.46) BRD4CREBBPALDH1A1MAPTHSD17B10
SCHEMBL27280283 0.66 USP2 (0.32) BRD4CREBBPHSD17B10GAAALOX15
SCHEMBL21693359 0.66 BRD4 (0.34) BRD4CREBBPHPGDKMT2ACYP1A2

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
EP-2592073-A2 Human protein tyrosine phosphatase inhibitors and their use Warner Chilcott Company, LLC (PR) 2013-05-15 EP disclosed