SCHEMBL1290134

SCHEMBL1290134

O=C(O)c1cc(Cc2cc(C(=O)O)cc3ccccc23)c2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
HMGB1 P09429 1/20 0.50
CXCL12 P48061 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GPR35 Q9HC97 2/20 0.47
POLB P06746 1/20 0.47
PTPN1 P18031 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2C Q14957 1/20 0.44
MAPT P10636 1/20 0.43
MGAM O43451 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
SCHEMBL27782213 0.87 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL7840002 0.83 GPR84 (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL28843981 0.83 MAPT (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL27782223 0.82 CTNNB1 (0.44) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL27829330 0.82 PTPN1 (0.45) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL27928255 0.80 CTNNB1 (0.43) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL27782246 0.80 DHODH (0.43) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL28783987 0.79 GRIN2D (0.46) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL30363668 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL7554285 0.79 MEN1 (0.55) MEN1KMT2AALDH1A1HPGDKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2624838-A1 NOVEL COMBINATIONS AstraZeneca AB (SE) 2013-08-14 EP disclosed
WO-2012085582-A1 COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012085583-A1 NEW COMPOUND ASTRAZENECA AB (SE) 2012-06-28 WO disclosed
WO-2012046050-A1 NOVEL COMBINATIONS ASTRAZENECA AB (SE) 2012-04-12 WO disclosed