SCHEMBL8073573

SCHEMBL8073573

CCOC(=O)C#CC(O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TNF P01375 1/20 0.38
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
TDP2 O95551 1/20 0.33
CASP3 P42574 1/20 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
SCHEMBL5515200 0.83 ALDH1A1 (0.47) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL7822888 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ATNF
SCHEMBL8057843 0.78 ALDH1A1 (0.42) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL5514536 0.78 ALDH1A1 (0.42) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL10429039 0.77 DHFR (0.49) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL8067005 0.74 PDK1 (0.38) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7815755 0.74 RECQL (0.40) PKMALDH1A1KDM4EMEN1KMT2A
SCHEMBL8068471 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10428913 0.73 POLB (0.44) PKMKDM4EMEN1KMT2ALMNA
SCHEMBL7823532 0.72 MAPT (0.42) ALDH1A1KDM4EKMT2ALMNATDP1

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-1066148-C Tricyclic benzazepine compounds MEIJI SEIKA CO (JP) 2001-05-23 CN disclosed
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
CN-1190971-A Tricyclic benzazepine * compounds MEIJI SEIKA CO (JP) 1998-08-19 CN disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed