SCHEMBL27367023

SCHEMBL27367023

COc1ccc(Cn2nnc(C(=O)O)c2C(O)c2cc(OC(C)C)c(OC(C)C)cc2[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
RECQL P46063 1/20 0.37
AKR1C3 P42330 4/20 0.36
MAOA P21397 1/20 0.36
PTGER4 P35408 1/20 0.36
PDE8B O95263 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL27481968 0.93 POLB (0.45) POLBMAPTALOX15L3MBTL1HSD17B10
SCHEMBL8067119 0.90 SLC5A1 (0.43) POLBMAPTALOX15L3MBTL1HSD17B10
SCHEMBL5516696 0.89 SLC5A1 (0.44) POLBMAPTHSD17B10MEN1KMT2A
SCHEMBL8069350 0.89 SLC5A1 (0.44) POLBMAPTHSD17B10MEN1KMT2A
SCHEMBL27366045 0.87 PTGER4 (0.41) POLBMAPTHSP90AA1HSP90AB1ALDH1A1
SCHEMBL27369607 0.85 MAPT (0.39) POLBMAPTALOX15L3MBTL1HSD17B10
SCHEMBL5515342 0.83 SLC5A1 (0.45) POLBMAPTALOX15L3MBTL1HSD17B10
SCHEMBL8071411 0.80 UCHL1 (0.39) POLBMAPTHSD17B10MEN1KMT2A
SCHEMBL7828627 0.80 SLC5A1 (0.44) POLBMAPTALOX15L3MBTL1HSD17B10
SCHEMBL27482671 0.80 POLB (0.42) POLBMAPTALDH1A1KDM4EAKR1C3

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
CN-1066148-C Tricyclic benzazepine compounds MEIJI SEIKA CO (JP) 2001-05-23 CN disclosed
CN-1190971-A Tricyclic benzazepine * compounds MEIJI SEIKA CO (JP) 1998-08-19 CN disclosed