SCHEMBL7911545

SCHEMBL7911545

COC(=O)COc1cccc(Cn2nc(C(=O)OC)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GPR84 Q9NQS5 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3R2 O00459 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PIK3R5 Q8WYR1 1/20 0.35
▸ PIK3R3 Q92569 1/20 0.35
▸ FAAH O00519 4/20 0.35
▸ MGLL Q99685 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
SCHEMBL7911574 0.93 LMNA (0.43) CCNA2CDK2CCNA1AURKALMNA
SCHEMBL7910547 0.92 HSD17B10 (0.38) CCNA2CDK2CCNA1AURKALMNA
SCHEMBL7903245 0.90 SMN1; SMN2 (0.44) CCNA2CDK2CCNA1LMNAHSD17B10
SCHEMBL7916986 0.86 ALDH1A1 (0.46) CCNA2CDK2CCNA1AURKALMNA
SCHEMBL7911558 0.85 ALDH1A1 (0.40) CCNA2CDK2CCNA1AURKALMNA
SCHEMBL7913265 0.84 SIRT2 (0.39) AURKALMNAHSD17B10KDM4ETSHR
SCHEMBL7913431 0.83 SMN1; SMN2 (0.47) CCNA2CDK2CCNA1LMNAHSD17B10
SCHEMBL7903219 0.82 LMNA (0.38) CCNA2CDK2CCNA1LMNAHSD17B10
SCHEMBL7910595 0.81 L3MBTL1 (0.35) CCNA2CDK2CCNA1AURKALMNA
SCHEMBL7916990 0.81 LMNA (0.41) CCNA2CDK2CCNA1LMNAHSD17B10

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
US-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 — — US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 — — EP disclosed
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