SCHEMBL11535201

SCHEMBL11535201

COc1ccc(Nc2ccc3c(c2N)C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 5/20 0.61
▸ P2RY2 P41231 4/20 0.61
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPK1 P28482 4/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ KDM4E B2RXH2 3/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ CDC25A P30304 1/20 0.51
▸ CDC25B P30305 1/20 0.51
▸ GAA P10253 2/20 0.50

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
SCHEMBL5273702 0.84 MAPT (0.65) P2RY4P2RY2MAPTALDH1A1MAPK1
SCHEMBL27627159 0.84 MEN1 (0.58) P2RY4P2RY2MAPTALDH1A1MAPK1
SCHEMBL10808936 0.83 P2RY4 (0.62) P2RY4P2RY2MAPTALDH1A1MAPK1
SCHEMBL8998549 0.82 P2RY2 (0.58) P2RY4P2RY2MAPTALDH1A1MAPK1
SCHEMBL20334225 0.80 MAPT (0.58) P2RY4P2RY2MAPTALDH1A1MAPK1
SCHEMBL11491441 0.79 P2RY2 (0.55) P2RY4P2RY2MAPTALDH1A1MAPK1
SCHEMBL7042345 0.79 MAPT (0.59) P2RY4P2RY2MAPTALDH1A1MAPK1
SCHEMBL11596912 0.77 MAPT (0.58) P2RY4P2RY2MAPTALDH1A1MAPK1
SCHEMBL10658788 0.77 MAPT (0.63) P2RY4P2RY2MAPTALDH1A1MAPK1
SCHEMBL30977231 0.77 P2RY4 (0.64) P2RY4P2RY2MAPTALDH1A1MAPK1

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-4176113-A ANTRAQUINONE DYES CIBA-GEIGY CORPORATION (US) 1979-11-27 — — US disclosed
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