SCHEMBL29570545

SCHEMBL29570545

NC(=O)C(F)(F)[C@H](O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 7/20 0.47
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ AOC3 Q16853 1/20 0.37

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
SCHEMBL29570725 1.00 KCNN4 (0.47) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL29570865 1.00 KCNN4 (0.47) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL29571252 0.83 BRD4 (0.39) HDAC4HDAC7HDAC5
SCHEMBL24361184 0.82 HDAC3 (0.41) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL31322230 0.82 LMNA (0.44) KCNN4AOC3
SCHEMBL24370661 0.81 KCNN4 (0.44) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL24370406 0.81 KCNN4 (0.44) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL29570767 0.81 KCNN4 (0.44) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL24370405 0.81 KCNN4 (0.44) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL29570584 0.81 KCNN4 (0.44) KCNN4HDAC3HDAC4HDAC1HDAC7

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-116802181-A Triazolopyridine compounds as kinase inhibitors 百时美施贵宝公司 2023-09-22 — — CN disclosed
EP-4229056-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2023-08-23 — — EP disclosed
WO-2022086828-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-28 — — WO disclosed
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