SCHEMBL30133947

SCHEMBL30133947

CC(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CES2 O00748 4/20 0.47
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ CES1 P23141 2/20 0.44
▸ KIF11 P52732 1/20 0.44
▸ MAOB P27338 2/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ MAOA P21397 1/20 0.40
▸ P2RX1 P51575 1/20 0.40
▸ TMPRSS4 Q9NRS4 1/20 0.40
▸ AURKA O14965 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ ABL2 P42684 1/20 0.38
▸ BLK P51451 1/20 0.38
▸ LIMK1 P53667 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
SCHEMBL2074860 1.00 KMT2A (0.49) KMT2AATMCES2HCRTR1HCRTR2
SCHEMBL12251405 0.85 CES2 (0.44) KMT2AATMCES2CES1MAOB
SCHEMBL4761587 0.85 KIF11 (0.47) KMT2AATMCES2HCRTR1HCRTR2
SCHEMBL28462767 0.84 KMT2A (0.55) KMT2AATMCES2HCRTR1HCRTR2
SCHEMBL334641 0.84 KEAP1 (0.52) KMT2AATMCES2HCRTR1HCRTR2
SCHEMBL3213469 0.82 CES2 (0.48) KMT2AATMCES2HCRTR1HCRTR2
SCHEMBL25902689 0.81 CES2 (0.49) KMT2AATMCES2HCRTR1HCRTR2
SCHEMBL29789763 0.81 CES2 (0.47) KMT2AATMCES2HCRTR1HCRTR2
SCHEMBL25902682 0.81 CES2 (0.47) KMT2AATMCES2HCRTR1HCRTR2
SCHEMBL679186 0.81 CES2 (0.47) KMT2AATMCES2HCRTR1HCRTR2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119176784-A Chlorofluoroether bacteria Synthesis process of azole 安徽久易农业股份有限公司 2024-12-24 — — CN claimed
CN-113939295-B Pyridazinones and methods of use thereof 金翅雀生物公司 2025-05-16 — — CN disclosed
CN-119176784-A Chlorofluoroether bacteria Synthesis process of azole 安徽久易农业股份有限公司 2024-12-24 — — CN disclosed
CN-119176784-A Chlorofluoroether bacteria Synthesis process of azole 安徽久易农业股份有限公司 2024-12-24 — — CN disclosed
CN-119119033-A Pyrazolopyridone compounds 百济神州有限公司 2024-12-13 — — CN disclosed
CN-119060036-A ATF6 inhibitors and uses thereof 阿尔托斯实验室公司 2024-12-03 — — CN disclosed
CN-112313224-B ATF6 inhibitors and uses thereof 阿尔托斯实验室公司 2024-08-13 — — CN disclosed
EP-4380936-A1 PYRAZOLOPYRIDINONE COMPOUNDS BeiGene, Ltd. (KY) 2024-06-12 — — EP disclosed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 — — CN disclosed
CN-113135863-B Novel triazole compound and application thereof in agriculture 东莞市东阳光农药研发有限公司 2024-01-16 — — CN disclosed
WO-2023011456-A1 PYRAZOLOPYRIDINONE COMPOUNDS BEIGENE, LTD. (KY) 2023-02-09 — — WO disclosed
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