SCHEMBL4723599

SCHEMBL4723599

COc1cccc2c1C(c1cccc3ccccc13)[C]OO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 1/20 0.39
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ADRA1A P35348 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR3C1 P04150 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL4720305 0.88 ENPP1 (0.38) KMT2A
SCHEMBL4720531 0.87 FABP7 (0.40) FABP7FABP3FABP5KMT2AMEN1
SCHEMBL4721222 0.85 HTR1B (0.40)
SCHEMBL4720812 0.84 TP53 (0.43) L3MBTL1GAATDP1
SCHEMBL4724619 0.74 ENPP1 (0.40)
SCHEMBL4722485 0.72 HTR1B (0.41)
SCHEMBL4722451 0.72 TP53 (0.44) L3MBTL1GAATDP1
SCHEMBL4722955 0.65 NR3C1 (0.43) ADRA1AALDH1A1KDM4EHPGDNR3C1
SCHEMBL30053540 0.65 ADRA1A (0.42) FABP7FABP3FABP5KMT2AMEN1
SCHEMBL28409558 0.65 ADRA1A (0.42) FABP7FABP3FABP5KMT2AMEN1

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