SCHEMBL7917122

SCHEMBL7917122

CCOc1cccc(C(CC)n2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.34
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ ITGB3 P05106 4/20 0.33
▸ ITGA2B P08514 4/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BCL2 P10415 2/20 0.32
▸ MDM2 Q00987 2/20 0.32

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
SCHEMBL29922027 0.99 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL1150210 0.99 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7913240 0.94 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7903224 0.93 CYP19A1 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7911578 0.93 BCL2 (0.35) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7911557 0.93 FFAR1 (0.35) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7917118 0.92 ROCK2 (0.34) ROCK2TP53SMN1; SMN2ITGB3ITGA2B
SCHEMBL7913269 0.90 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL3209182 0.87 FFAR1 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL795594 0.86 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2

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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