SCHEMBL7547973

SCHEMBL7547973

COc1cc(Br)c(OC)c2c1C=C([N+](=O)[O-])CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
GPR35 Q9HC97 1/20 0.35
PKM P14618 1/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33

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
Nitrous Acid SCHEMBL7549271 0.94 HTR2A (0.36) HTR2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7546763 0.90 GRIN2D (0.36) HTR2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7540187 0.82 KDM4E (0.47) MAPTHTTKDM4EPTGS2ALDH1A1
SCHEMBL7540968 0.69 HTR2A (0.47) HTR2AMAPTHTTTSHRAPOBEC3A
SCHEMBL7549275 0.68 GRIN2D (0.34) HTR2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17132381 0.66 HTT (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20191026 0.66 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7007492 0.66 ALDH1A1 (0.41) MAPTHTTKDM4EALDH1A1MAPK1
SCHEMBL11188883 0.66 HTR2A (0.43) HTR2AHTTTSHRAPOBEC3AAPOBEC3G
SCHEMBL17239822 0.65 PKM (0.50) HTR2AGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-5807897-A MUSCULAR DISORDERS ZENECA LIMITED (GB) 1998-09-15 US disclosed