SCHEMBL29382012

SCHEMBL29382012

NC(=O)c1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC1 Q13547 4/20 0.50
TGFBR1 P36897 1/20 0.49
HDAC4 P56524 14/20 0.49
HDAC2 Q92769 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46

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
SCHEMBL21033311 0.89 HDAC4 (0.50) HDAC6HDAC8HDAC4HDAC2
SCHEMBL22531170 0.85 CPT2 (0.47) HDAC6HDAC8HDAC1HDAC4HDAC2
SCHEMBL29381493 0.85 HDAC4 (0.65) HDAC6HDAC1HDAC4
SCHEMBL29381942 0.85 HDAC4 (0.65) HDAC6HDAC8HDAC1HDAC4HDAC2
SCHEMBL29381433 0.83 HDAC4 (0.65) HDAC6HDAC8HDAC1HDAC4HDAC2
SCHEMBL21033488 0.83 HDAC4 (0.53) HDAC6HDAC8HDAC1HDAC4HDAC2
SCHEMBL30845754 0.82 TGFBR1 (0.48) TGFBR1EGLN1
SCHEMBL29381684 0.82 HDAC4 (0.49) HDAC6HDAC8HDAC1HDAC4
SCHEMBL29379315 0.82 HDAC4 (0.48) HDAC6HDAC1HDAC4
SCHEMBL29381838 0.81 HDAC4 (0.69) HDAC6HDAC8HDAC1HDAC4HDAC2

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
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN claimed
EP-3953353-A1 NOVEL OXADIAZOLE COMPOUNDS FOR CONTROLLING OR PREVENTING PHYTOPATHOGENIC FUNGI PI Industries Ltd. (IN) 2022-02-16 EP claimed
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed