SCHEMBL9635823

SCHEMBL9635823

Ic1ccc2c(c1)C(=Cc1ccccc1)c1cc(I)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
CYP11B2 P19099 2/20 0.42
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APP P05067 2/20 0.37
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35

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
SCHEMBL14421821 0.77 APP (0.49) CYP19A1ABL1MAPTHPGDAPP
SCHEMBL3816595 0.76 LRRK2 (0.57) CYP19A1CYP11B2MAPTHPGDMEN1
SCHEMBL1242518 0.76 PTPRC (0.47) CYP19A1CYP11B2MAPTHPGDMEN1
SCHEMBL283216 0.75 CYP19A1 (0.67) CYP19A1CYP11B2MAPTHPGDMEN1
SCHEMBL9177137 0.73 CYP19A1 (0.48) CYP19A1CYP11B2MAPTHPGDMEN1
SCHEMBL9177130 0.73 CYP19A1 (0.48) CYP19A1CYP11B2MAPTHPGDMEN1
SCHEMBL5358659 0.73 LRRK2 (0.69) MAPTHPGDMEN1KMT2ATDP1
SCHEMBL4541307 0.73 CYP19A1 (0.62) CYP19A1CYP11B2MAPTHPGDMEN1
SCHEMBL25227687 0.73 PTPRC (0.39) MAPTHPGDMEN1KMT2AL3MBTL1
SCHEMBL27896043 0.73 PTPRC (0.39) MAPTHPGDMEN1KMT2AL3MBTL1

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
US-5124944-A OPTICAL STORAGE MEDIUM AND STORAGE PROCESS NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1992-06-23 US disclosed