SCHEMBL29054792

SCHEMBL29054792

O=C(Nc1ccc(F)cc1)C(F)(F)Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
ABCC9 O60706 2/20 0.54
ABCC8 Q09428 2/20 0.54
KCNJ11 Q14654 2/20 0.54
KCNJ8 Q15842 2/20 0.54
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
TGM2 P21980 1/20 0.50
ANO1 Q5XXA6 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL5549558 0.85 CA12 (0.59) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL31490978 0.83 MEN1 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL28541583 0.82 HDAC1 (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28530338 0.82 PDK1 (0.64) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL26624049 0.82 ABCC9 (0.57) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9677254 0.81 PDK1 (0.61) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL13860784 0.80 ALDH1A1 (0.52) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6928350 0.79 MEN1 (0.61) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL72846 0.79 L3MBTL1 (0.79) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL31490975 0.79 EPHX2 (0.73) KMT2ANPC1RAB9AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116497377-A Preparation method of beta-hydroxy-alpha, alpha-difluoroamide compound 哈尔滨工业大学(深圳) 2023-07-28 CN claimed
CN-116621726-B Phenyl difluoro amidated aromatic hydrocarbon compound, preparation method and application thereof 上海大学 2025-05-27 CN disclosed
CN-116621726-A Phenyl difluoro amidated aromatic hydrocarbon compound, preparation method and application thereof 上海大学 2023-08-22 CN disclosed
CN-116497377-A Preparation method of beta-hydroxy-alpha, alpha-difluoroamide compound 哈尔滨工业大学(深圳) 2023-07-28 CN disclosed