SCHEMBL31389085

SCHEMBL31389085

CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cncc2c(Br)c[nH]c12)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ SYK P43405 1/20 0.37
▸ CTSS P25774 3/20 0.36
▸ CTSK P43235 3/20 0.36
▸ SSTR3 P32745 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPSR1 Q6W5P4 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ CTSL P07711 1/20 0.34

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
SCHEMBL31724074 1.00 ROCK2 (0.37) ROCK2ROCK1SYKCTSSCTSK
SCHEMBL31724366 0.85 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL31389107 0.76 CTSS (0.39) SYKCTSSCTSKMEN1KMT2A
SCHEMBL31724494 0.76 CTSS (0.39) SYKCTSSCTSKMEN1KMT2A
SCHEMBL31724369 0.76 CTSS (0.39) SYKCTSSCTSKMEN1KMT2A
SCHEMBL31389093 0.76 CTSS (0.39) SYKCTSSCTSKMEN1KMT2A
SCHEMBL31724500 0.72 ACACB (0.46) ROCK2ROCK1
SCHEMBL31724389 0.72 ACACB (0.46) ROCK2ROCK1
SCHEMBL31724225 0.72 ACACB (0.45) ROCK2ROCK1
SCHEMBL10380082 0.72 SYK (0.43) SYKCTSSCTSKALDH1A1KDM4E

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
CN-119173509-A ROCK inhibitors and uses thereof 迪哲(江苏)医药股份有限公司 2024-12-20 — — CN disclosed
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