SCHEMBL7903246

SCHEMBL7903246

CCOc1cccc(C(c2ncccc2OC)n2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ ROCK2 O75116 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ FKBP1A P62942 1/20 0.32
▸ S1PR1 P21453 3/20 0.31
▸ FFAR1 O14842 2/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ RAD52 P43351 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ GPR132 Q9UNW8 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL7913269 0.89 ROCK2 (0.34) KDM4ELMNATSHRHSD17B10CYP19A1
SCHEMBL795594 0.88 ROCK2 (0.34) KDM4ELMNATSHRHSD17B10CYP19A1
SCHEMBL7913410 0.86 FFAR1 (0.36) ROCK2S1PR1FFAR1RAD52
SCHEMBL29922027 0.85 ROCK2 (0.34) KDM4ELMNATSHRHSD17B10CYP19A1
SCHEMBL1150210 0.85 ROCK2 (0.34) KDM4ELMNATSHRHSD17B10CYP19A1
SCHEMBL7911557 0.84 FFAR1 (0.35) KDM4ELMNATSHRHSD17B10CYP19A1
SCHEMBL7917122 0.84 ROCK2 (0.34) KDM4ELMNATSHRHSD17B10CYP19A1
SCHEMBL7913240 0.84 ROCK2 (0.34) KDM4ELMNATSHRHSD17B10CYP19A1
SCHEMBL7911578 0.83 BCL2 (0.35) KDM4ELMNATSHRHSD17B10CYP19A1
SCHEMBL7903224 0.83 CYP19A1 (0.34) KDM4ELMNATSHRHSD17B10CYP19A1

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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