SCHEMBL30849093

SCHEMBL30849093

CC(=O)c1cnccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.46
▸ SIRT3 Q9NTG7 1/20 0.46
▸ HTT P42858 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HASPIN Q8TF76 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ NUDT1 P36639 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ KDM4C Q9H3R0 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38

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
SCHEMBL16414200 1.00 TDP1 (0.46) TDP1SIRT3HTTL3MBTL1HASPIN
SCHEMBL459712 0.83 LOXL2 (0.44) TDP1SIRT3HTTL3MBTL1HASPIN
SCHEMBL229353 0.81 KDM4C (0.53) TDP1SIRT3HTTL3MBTL1KDM4C
SCHEMBL30316868 0.81 KDM4C (0.53) TDP1SIRT3HTTL3MBTL1KDM4C
SCHEMBL28317597 0.80 TDP1 (0.50) TDP1SIRT3L3MBTL1HASPINROCK2
SCHEMBL1135627 0.79 SIRT3 (0.60) TDP1SIRT3HTTL3MBTL1ROCK1
SCHEMBL2579028 0.79 ALDH1A1 (0.52) TDP1SIRT3HTTL3MBTL1ROCK2
SCHEMBL30758512 0.77 TDP1 (0.47) TDP1SIRT3L3MBTL1HASPINROCK2
SCHEMBL19838598 0.77 TDP1 (0.47) TDP1SIRT3L3MBTL1HASPINROCK2
SCHEMBL29496054 0.77 TDP1 (0.68) TDP1SIRT3L3MBTL1HASPINROCK2

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-121202767-A Preparation method of 1- (4-fluoro-3-pyridyl) ethanone 郑州药领医药科技有限公司 2025-12-26 — — CN disclosed
CN-121202767-A Preparation method of 1- (4-fluoro-3-pyridyl) ethanone 郑州药领医药科技有限公司 2025-12-26 — — CN disclosed
CN-117897384-A CDK2 inhibitors 缆图药品公司 2024-04-16 — — CN disclosed
Send feedback