SCHEMBL11580302

SCHEMBL11580302

COc1cccc(Oc2cccc3c2C(=O)c2cccc(N)c2C3=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.49
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 2/20 0.48
ATM Q13315 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
RAB9A P51151 4/20 0.46
FGB P02675 1/20 0.46
THRB P10828 1/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
EGFR P00533 1/20 0.44

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
SCHEMBL11581493 0.89 ADORA2A (0.51) ADORA2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL11580693 0.84 CCNE2 (0.52) ADORA2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL2302266 0.84 ADORA2A (0.61) ADORA2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL10813504 0.82 ALDH1A1 (0.65) ADORA2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL11582924 0.82 ADORA2A (0.50) ADORA2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL8748152 0.81 MAPT (0.50) ADORA2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL11580835 0.81 GAA (0.60) ADORA2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL11581660 0.80 ADORA2A (0.51) ADORA2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL11580911 0.80 ADORA2A (0.59) ADORA2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL11580492 0.79 ADORA2A (0.44) ADORA2AMAPTALDH1A1SMN1; SMN2POLB

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-4126626-A DYES, POLYESTERS CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed