SCHEMBL29136034

SCHEMBL29136034

O=C(O)c1cccc(Cn2ccc3cc(Br)ncc3c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 10/20 0.50
▸ IDO1 P14902 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EIF4EBP1 Q13541 1/20 0.41
▸ STING1 Q86WV6 1/20 0.40
▸ GLO1 Q04760 1/20 0.40

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
SCHEMBL29136068 0.87 EGLN1 (0.53) EGLN1YTHDC1
SCHEMBL30656517 0.87 EGLN1 (0.53) EGLN1YTHDC1
SCHEMBL29779107 0.87 IDO1 (0.48) EGLN1IDO1YTHDC1
SCHEMBL24617232 0.87 IDO1 (0.48) EGLN1IDO1YTHDC1
SCHEMBL29136019 0.83 KMT2A (0.45) EGLN1IDO1HTTKMT2APOLB
SCHEMBL30656512 0.83 KMT2A (0.45) EGLN1IDO1HTTKMT2APOLB
SCHEMBL2419097 0.76 KMT2A (0.45) EGLN1IDO1HTTKMT2APOLB
SCHEMBL29136094 0.75 ROCK1 (0.56) —
SCHEMBL29778921 0.75 ROCK1 (0.56) —
SCHEMBL25427033 0.72 EGLN1 (0.53) EGLN1KMT2A

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-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 — — CN disclosed
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