SCHEMBL10937987

SCHEMBL10937987

CCOc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)cc(Cl)c(O)c2C3=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ PRKAB2 O43741 2/20 0.41
▸ PRKAG1 P54619 2/20 0.41
▸ PRKAA2 P54646 2/20 0.41
▸ PRKAA1 Q13131 2/20 0.41
▸ PRKAG3 Q9UGI9 2/20 0.41
▸ PRKAG2 Q9UGJ0 2/20 0.41
▸ PRKAB1 Q9Y478 2/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38

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
SCHEMBL10937102 0.91 GPR84 (0.42) FFAR1FFAR4KMT2AMEN1MAPT
SCHEMBL10936408 0.91 MAOB (0.42) FFAR1FFAR4KMT2AMEN1MAPT
SCHEMBL10937617 0.89 GPR84 (0.40) FFAR1FFAR4KMT2AMEN1MAPT
SCHEMBL10935351 0.88 NR5A1 (0.42) FFAR1FFAR4KMT2AMEN1MAPT
SCHEMBL10938771 0.88 FFAR1 (0.39) FFAR1FFAR4PRKAB2PRKAG1PRKAA2
SCHEMBL10935376 0.88 NR5A1 (0.42) FFAR1FFAR4KMT2AMEN1MAPT
SCHEMBL10933968 0.86 HDAC4 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL11757433 0.86 NQO1 (0.48) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL11140829 0.83 GPR84 (0.47) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL11286614 0.82 THRA (0.41) FFAR1FFAR4KMT2AMEN1MAPT

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-4532069-A For electro-optical display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-07-30 — — US disclosed
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