SCHEMBL6024464

SCHEMBL6024464

CCC/C(=C/c1ccc2ccccc2c1)[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FBP1 P09467 1/20 0.37
CNR2 P34972 3/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
ABL2 P42684 1/20 0.37
RELA Q04206 1/20 0.37
PTGS1 P23219 1/20 0.36

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
SCHEMBL6024467 1.00 MAOA (0.41) MAOAMAOBKDM4EALDH1A1L3MBTL1
SCHEMBL6024106 0.79 CYP2A6 (0.47) MAOAKDM4EALDH1A1ABL1EGFR
SCHEMBL6024107 0.79 CYP2A6 (0.47) MAOAKDM4EALDH1A1ABL1EGFR
SCHEMBL8629347 0.77 FBP1 (0.64) MAOAMAOBKDM4EALDH1A1L3MBTL1
SCHEMBL8629342 0.77 FBP1 (0.64) MAOAMAOBKDM4EALDH1A1L3MBTL1
SCHEMBL7260095 0.76 FBP1 (0.56) MAOAMAOBALDH1A1FBP1
SCHEMBL7260091 0.76 FBP1 (0.56) MAOAMAOBALDH1A1FBP1
SCHEMBL6023408 0.75 ABL1 (0.35) KDM4EALDH1A1ABL1EGFRABL2
SCHEMBL6023410 0.75 ABL1 (0.35) KDM4EALDH1A1ABL1EGFRABL2
SCHEMBL6024491 0.75 CYP2A6 (0.46) MAOAMAOBKDM4EALDH1A1

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
EP-0957080-B1 NOVEL ETHYLAMINE DERIVATIVES FUJIMOTO BROTHERS CO LTD (JP) 2006-06-21 EP disclosed
US-6214859-B1 PSYCHOLOGICAL DISORDERS; ALZHEIMER'S DISORDERS; PARKINSON'SDISORDERS FUJIMOTO BROTHERS CO., LTD. (JP) 2001-04-10 US disclosed
EP-0957080-A1 NOVEL ETHYLAMINE DERIVATIVES Fujimoto Brothers Co., Ltd. (JP) 1999-11-17 EP disclosed