SCHEMBL7979807

SCHEMBL7979807

COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
ALOX5 P09917 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
PDK2 Q15119 1/20 0.46
LMNA P02545 1/20 0.46
MGLL Q99685 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL7982334 1.00 KMT2A (0.54) KMT2ACNR1CNR2ALOX5HPGD
SCHEMBL16144713 0.90 MAPT (0.48) KMT2ACNR1CNR2ALOX5MAPT
SCHEMBL16144705 0.90 MAPT (0.48) KMT2ACNR1CNR2ALOX5MAPT
SCHEMBL14904735 0.90 MAPT (0.48) KMT2ACNR1CNR2ALOX5MAPT
SCHEMBL14904771 0.89 GAA (0.47) KMT2ACNR1CNR2ALOX5MAPT
SCHEMBL14280062 0.85 KMT2A (0.47) KMT2AHPGDMAPTHTTMGLL
SCHEMBL11459789 0.84 CNR1 (0.44) CNR1CNR2ALOX5MAPTPDK2
SCHEMBL13980558 0.84 KMT2A (0.46) KMT2AHPGDHTTMEN1
SCHEMBL13468539 0.83 CNR1 (0.53) KMT2ACNR1CNR2ALOX5HTT
SCHEMBL10724171 0.83 CNR1 (0.53) KMT2ACNR1CNR2ALOX5PDK2

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
US-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed
EP-0987266-A1 BIPHENYL DERIVATIVES AND MEDICINAL COMPOSITIONS Wakamoto Pharmaceutical Co., Ltd. (JP) 2000-03-22 EP disclosed