SCHEMBL29037871

SCHEMBL29037871

O=C1OCc2ccccc2C1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ANPEP P15144 2/20 0.33
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MITF O75030 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TYMS P04818 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HRH1 P35367 2/20 0.31

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
SCHEMBL28769170 0.98 MAOA (0.38) MAOAMAOBANPEPRAB9AGAA
SCHEMBL28454918 0.74 HTR2A (0.48) MAOAANPEPHTR2AHTR2CHRH1
SCHEMBL3348739 0.72 ACP3 (0.41) ANPEPRAB9AGAAALDH1A1KDM4E
SCHEMBL14275684 0.72 ANPEP (0.53) MAOAMAOBANPEPHTR2A
SCHEMBL14169739 0.72 MAOA (0.44) MAOAMAOBANPEPRAB9AGAA
SCHEMBL9817309 0.70 MAOA (0.39) MAOAMAOBGAACYP1A2
SCHEMBL28428106 0.69 MAOB (0.41) MAOAMAOBANPEPRAB9AALDH1A1
SCHEMBL7972519 0.68 MAOA (0.40) MAOAMAOBANPEPRAB9AGAA
SCHEMBL14019219 0.65 MAOA (0.37) MAOAMAOBANPEPHTR2AHTR2C
SCHEMBL14170258 0.65 MAOA (0.37) MAOAMAOBANPEPALDH1A1SMN1; SMN2

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-114685313-B Preparation method of trifloxystrobin 江西天宇化工有限公司 2024-04-05 CN claimed
CN-114685313-B Preparation method of trifloxystrobin 江西天宇化工有限公司 2024-04-05 CN disclosed
CN-116462650-A Preparation method of 3-ketone-4- (methoxyimino) isochroman 河北诚信集团有限公司 2023-07-21 CN disclosed