SCHEMBL30848995

SCHEMBL30848995

CCOC(=O)Cc1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 6/20 0.46
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL392679 1.00 LMNA (0.51) LMNAMEN1KMT2AHTTTSHR
SCHEMBL14684937 0.87 LMNA (0.43) LMNAMEN1KMT2AHTTMAPT
SCHEMBL30224794 0.87 AKR1C3 (0.41) LMNAMEN1KMT2AHTTTSHR
SCHEMBL7425083 0.86 ALDH1A1 (0.57) LMNAMEN1KMT2AHTTTSHR
SCHEMBL5201986 0.84 LMNA (0.49) LMNAMEN1KMT2AHTTMAPT
SCHEMBL1694828 0.84 MAPT (0.49) LMNAMEN1KMT2AHTTTSHR
SCHEMBL5092015 0.84 LMNA (0.49) LMNAMEN1KMT2AHTTMAPT
SCHEMBL31085600 0.83 LMNA (0.53) LMNAMEN1KMT2AHTTMAPT
SCHEMBL31085599 0.83 LMNA (0.53) LMNAMEN1KMT2AHTTMAPT
SCHEMBL15270721 0.83 LMNA (0.53) LMNAMEN1KMT2AHTTMAPT

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-118847245-A Synthesis method of bromoalkyl substituted quinoxaline 烟台宁远药业有限公司 2024-10-29 CN claimed
CN-118847245-A Synthesis method of bromoalkyl substituted quinoxaline 烟台宁远药业有限公司 2024-10-29 CN disclosed
CN-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN disclosed