SCHEMBL29208492

SCHEMBL29208492

CC(C)(C)OC(=O)NCc1cccc(Cn2ccc3ccc(CN)cc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 1/20 0.44
▸ BAZ2B Q9UIF8 1/20 0.44
▸ BAZ2A Q9UIF9 1/20 0.44
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ KLKB1 P03952 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ GLS O94925 3/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC11 Q96DB2 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
SCHEMBL29588065 1.00 BRD9 (0.44) BRD9BAZ2BBAZ2AHDAC10HDAC6
SCHEMBL29208400 0.92 HDAC8 (0.47) BRD9BAZ2BBAZ2AHDAC10HDAC6
SCHEMBL29208381 0.84 ALDH1A1 (0.56) BRD9BAZ2BBAZ2AHDAC10HDAC6
SCHEMBL29587490 0.84 ALDH1A1 (0.56) BRD9BAZ2BBAZ2AHDAC10HDAC6
SCHEMBL25421576 0.84 TSHR (0.51) HDAC10HDAC6KLKB1HDAC8KLK1
SCHEMBL184953 0.82 GLS (0.54) GLSBRD4CYP2D6HDAC1ACACB
Hydrochloric Acid SCHEMBL31609012 0.81 GLS (0.53) GLSBRD4CYP2D6HDAC1ACACB
SCHEMBL24414622 0.81 BRD9 (0.46) BRD9BAZ2BBAZ2AHDAC10HDAC6
SCHEMBL24414562 0.79 MTNR1A (0.42) HDAC6HDAC8HDAC1
SCHEMBL30991815 0.79 MTNR1A (0.42) HDAC6HDAC8HDAC1

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-116391129-A Target binding assays for RAS proteins 普罗美加公司 2023-07-04 — — CN disclosed
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