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Sugi Predict / Compounds / SCHEMBL6997632

SCHEMBL6997632

SCHEMBL6997632

CC1Oc2ccc(C(N)C(=O)OC(C)(C)CC3Cc4ccccc4C3)cc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.42
▸ SMYD3 Q9H7B4 4/20 0.40
▸ HTR1A P08908 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ KCNH2 Q12809 1/20 0.34
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 1/20 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
SCHEMBL6998045 0.87 PARP1 (0.38) PARP1SMYD3HTR1AHTR7PDE3B
SCHEMBL6997272 0.85 PARP1 (0.37) PARP1SMYD3HTR1AHTR7PDE3B
SCHEMBL6998308 0.84 PARP1 (0.46) PARP1SMYD3HTR1AHTR7PDE3B
SCHEMBL6995697 0.82 ALOX5 (0.31) —
SCHEMBL6998306 0.80 PARP1 (0.40) PARP1SMYD3HTR1AHTR7PDE3B
SCHEMBL6991269 0.80 PARP1 (0.40) PARP1SMYD3HTR1AHTR7PDE3B
SCHEMBL7000925 0.79 PARP1 (0.42) PARP1SMYD3USP2GAA
SCHEMBL6996238 0.78 PARP1 (0.41) PARP1SMYD3HTR1AHTR7PDE3B
SCHEMBL6999457 0.78 PARP1 (0.42) PARP1SMYD3
SCHEMBL6996225 0.78 PARP1 (0.39) PARP1SMYD3GAA

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-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 — — EP disclosed