SCHEMBL7913269

SCHEMBL7913269

CCOc1cccc(C(c2ccccc2)n2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ ITGB3 P05106 2/20 0.33
▸ ITGA2B P08514 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GPR132 Q9UNW8 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL795594 0.93 ROCK2 (0.34) ROCK2SMN1; SMN2TP53PKMNFKB1
SCHEMBL7913410 0.93 FFAR1 (0.36) ROCK2CYP2C9HCAR2S1PR1
SCHEMBL29922027 0.91 ROCK2 (0.34) ROCK2SMN1; SMN2TP53PKMNFKB1
SCHEMBL1150210 0.91 ROCK2 (0.34) ROCK2SMN1; SMN2TP53PKMNFKB1
SCHEMBL7911578 0.90 BCL2 (0.35) ROCK2SMN1; SMN2TP53PKMNFKB1
SCHEMBL7913240 0.90 ROCK2 (0.34) ROCK2SMN1; SMN2TP53PKMNFKB1
SCHEMBL7917122 0.90 ROCK2 (0.34) ROCK2SMN1; SMN2TP53PKMNFKB1
SCHEMBL7903246 0.89 KDM4E (0.35) ROCK2TP53CYP19A1CYP11B1CYP11B2
SCHEMBL7903224 0.89 CYP19A1 (0.34) ROCK2SMN1; SMN2TP53PKMNFKB1
SCHEMBL7911557 0.89 FFAR1 (0.35) ROCK2SMN1; SMN2TP53PKMNFKB1

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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