SCHEMBL10614221

SCHEMBL10614221

O=c1c2ccc(O)cc2[nH]c2oc3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.54
▸ CDK5 Q00535 5/20 0.50
▸ CDK5R1 Q15078 4/20 0.50
▸ DYRK1A Q13627 3/20 0.49
▸ GSK3A P49840 2/20 0.49
▸ GSK3B P49841 2/20 0.49
▸ GAA P10253 2/20 0.47
▸ MGAM O43451 1/20 0.47
▸ SI P14410 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ROCK2 O75116 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TOP1 P11387 1/20 0.43
▸ KDM5A P29375 2/20 0.42

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
SCHEMBL2002523 0.84 KDM4E (0.52) MAOACDK5CDK5R1DYRK1AGSK3A
SCHEMBL9768422 0.78 CDK5 (0.50) MAOACDK5CDK5R1DYRK1AGSK3A
SCHEMBL9709209 0.74 GAA (0.80) MAOACDK5CDK5R1GAAMEN1
SCHEMBL5399928 0.71 CDK4 (0.57) GAAMEN1POLBCASP6KMT2A
SCHEMBL29958262 0.71 GAA (0.63) MAOACDK5CDK5R1GAAMEN1
SCHEMBL29958428 0.71 GAA (0.63) MAOACDK5CDK5R1GAAMEN1
SCHEMBL20712297 0.71 CDK5 (0.46) CDK5CDK5R1DYRK1AGSK3AGSK3B
SCHEMBL2299504 0.71 MAOA (1.00) MAOAGAAMGAMSIMGAM2
SCHEMBL29715739 0.71 MAOA (1.00) MAOAGAAMGAMSIMGAM2
SCHEMBL27066955 0.70 JAK2 (0.50) MAOACDK5CDK5R1DYRK1AGSK3A

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
JP-63297324-A — — None — — JP disclosed
JP-S63297324-A REMEDY FOR OSTEOPOROSIS KISSEI PHARMACEUT CO LTD 1988-12-05 — — JP disclosed
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