SCHEMBL28465411

SCHEMBL28465411

O=c1ccoc2ccc(C(F)(F)F)cc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 11/20 0.62
MAOB P27338 11/20 0.62
FTO Q9C0B1 2/20 0.48
ACHE P22303 1/20 0.47
DYRK1A Q13627 1/20 0.46
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.42
EPM2A O95278 1/20 0.41
PTPRC P08575 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC14A Q9UNH5 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40

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
SCHEMBL30742413 1.00 MAOA (0.62) MAOAMAOBFTOACHEDYRK1A
SCHEMBL30395860 0.86 MAOA (0.62) MAOAMAOBFTOHSD17B10KDM4E
SCHEMBL17708944 0.86 MAOA (0.62) MAOAMAOBFTOHSD17B10KDM4E
SCHEMBL12025110 0.82 PON1 (0.49) MAOAMAOBFTOACHEDYRK1A
SCHEMBL1094182 0.76 MAOA (0.59) MAOAMAOBFTOACHEDYRK1A
SCHEMBL28739751 0.75 ACHE (0.59) MAOAMAOBACHESIGMAR1
SCHEMBL3997145 0.75 MAOA (0.45) MAOAMAOBFTOACHEDYRK1A
SCHEMBL365385 0.73 MAOA (0.58) MAOAMAOBFTOACHEDYRK1A
SCHEMBL827855 0.73 EPM2A (0.62) MAOAMAOBDYRK1AEPM2APTPRC
SCHEMBL20274083 0.73 EPHX2 (0.41) MAOAMAOBHSD17B10

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
EP-4612143-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2025-09-10 EP disclosed
WO-2024094575-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2024-05-10 WO disclosed
CN-111848451-B Preparation method of cyano compound 中国科学院化学研究所 2021-08-24 CN disclosed
CN-111848451-A Preparation method of cyano compound 中国科学院化学研究所 2020-10-30 CN disclosed