SCHEMBL15850652

SCHEMBL15850652

COc1cc2c(cc1OC(C)C)-c1c(c(C(=O)O)nn1-c1cccc(C)c1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 3/20 0.45
▸ CDK2 P24941 3/20 0.45
▸ CCNA1 P78396 3/20 0.45
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PIK3R2 O00459 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ PIK3R5 Q8WYR1 2/20 0.38
▸ PIK3R3 Q92569 2/20 0.38
▸ RPA1 P27694 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL15850625 0.90 CCNA2 (0.46) CCNA2CDK2CCNA1ACHEALDH1A1
SCHEMBL15850651 0.90 CCNA2 (0.45) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL12874898 0.87 CCNA2 (0.41) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL12046670 0.87 CCNA2 (0.48) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL12046637 0.85 CCNA2 (0.46) CCNA2CDK2CCNA1ALDH1A1RAD52
SCHEMBL12060226 0.84 KDM4E (0.39) CCNA2CDK2CCNA1KMT2APIK3CD
SCHEMBL12046636 0.84 CCNA2 (0.40) CCNA2CDK2CCNA1ACHERAD52
SCHEMBL12046654 0.82 KMT2A (0.37) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL12046651 0.81 CCNA2 (0.44) CCNA2CDK2CCNA1ALDH1A1MAPT
SCHEMBL1198506 0.79 PDE7A (0.41) CCNA2CDK2CCNA1MEN1KMT2A

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
EP-2459551-B1 DIHYDROBENZOINDAZOLES MERCK SHARP & DOHME (NL) 2014-07-02 — — EP disclosed
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