SCHEMBL4056517

SCHEMBL4056517

COc1cccnc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
AURKB Q96GD4 1/20 0.53
INCENP Q9NQS7 1/20 0.53
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDR P35968 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
FFAR2 O15552 1/20 0.44
KCNA5 P22460 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AVPR2 P30518 1/20 0.43

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
SCHEMBL987247 0.96 SYK (0.51) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL15674490 0.85 SYK (0.49) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL10131329 0.84 SYK (0.48) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL3865219 0.84 SYK (0.48) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL15674260 0.84 SYK (0.48) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL30592071 0.83 CYP11B1 (0.55) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL12498949 0.83 CYP11B1 (0.55) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL5702570 0.82 CA1 (0.50) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL29894839 0.82 CA1 (0.50) SYKAURKBINCENPKDM4EALDH1A1
SCHEMBL2040633 0.82 RXRA (0.50) SYKAURKBINCENPKDM4EALDH1A1

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-2078205-A2 BREAST CANCER SCREENING AND TREATMENT METHODS Ore Pharmaceuticals Inc. (US) 2009-07-15 EP disclosed
WO-2008060899-A2 BREAST CANCER SCREENING AND TREATMENT METHODS ORE PHARMACEUTICALS INC. (US) 2008-05-22 WO disclosed