SCHEMBL4720531

SCHEMBL4720531

COc1cccc2c1C(c1cccc3ccccc13)[C]O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.40
FABP3 P05413 1/20 0.40
FABP5 Q01469 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ADRA1A P35348 2/20 0.36
NR3C1 P04150 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
GSK3B P49841 1/20 0.35
ADK P55263 1/20 0.35
BCHE P06276 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
SCHEMBL4723599 0.87 FABP7 (0.39) FABP7FABP3FABP5MEN1KMT2A
SCHEMBL4724619 0.87 ENPP1 (0.40) SLC6A4HTR2A
SCHEMBL4722485 0.85 HTR1B (0.41) SLC6A4
SCHEMBL4722451 0.84 TP53 (0.44) L3MBTL1GAATDP1SLC6A4
SCHEMBL4722955 0.79 NR3C1 (0.43) ALDH1A1KDM4EHPGDADRA1ANR3C1
SCHEMBL4720305 0.74 ENPP1 (0.38) KMT2ASLC6A4HTR2A
SCHEMBL4721222 0.73 HTR1B (0.40) SLC6A4
SCHEMBL4720812 0.72 TP53 (0.43) L3MBTL1GAATDP1SLC6A4
SCHEMBL28409558 0.67 ADRA1A (0.42) FABP7FABP3FABP5MEN1KMT2A
SCHEMBL30053540 0.67 ADRA1A (0.42) FABP7FABP3FABP5MEN1KMT2A

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-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed