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Sugi Predict / Compounds / SCHEMBL116265

SCHEMBL116265

SCHEMBL116265

CC(C)[Si](OCc1ccc(C(CNC(=O)O)C(=O)Nc2cc3ccncc3cc2C(C)(C)C)cc1)(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.45
▸ ROCK1 Q13464 5/20 0.40
▸ MYLK4 Q86YV6 1/20 0.39

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
SCHEMBL117418 0.88 ROCK2 (0.44) ROCK2ROCK1MYLK4
SCHEMBL114017 0.85 ROCK2 (0.61) ROCK2ROCK1MYLK4
SCHEMBL116772 0.83 ROCK2 (0.42) ROCK2ROCK1
SCHEMBL2775172 0.78 ROCK2 (0.57) ROCK2ROCK1MYLK4
SCHEMBL111744 0.75 ROCK2 (0.60) ROCK2ROCK1MYLK4
SCHEMBL113527 0.73 ROCK2 (0.78) ROCK2ROCK1MYLK4
SCHEMBL2775620 0.73 ROCK2 (0.57) ROCK2ROCK1MYLK4
SCHEMBL112522 0.72 ROCK2 (0.60) ROCK2ROCK1MYLK4
SCHEMBL113472 0.70 PARP1 (0.39) ROCK2ROCK1MYLK4
SCHEMBL21774951 0.69 ROCK2 (0.76) ROCK2ROCK1MYLK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 — — EP disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 — — WO disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 — — WO disclosed