SCHEMBL8939375

SCHEMBL8939375

O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccnc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
KMT2A Q03164 3/20 0.56
PKM P14618 1/20 0.56
GAA P10253 3/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX5 P09917 1/20 0.50
HGFAC Q04756 1/20 0.50
JMJD7 P0C870 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL1207956 0.85 MAPT (0.56) MAPTKMT2APKMGAAHPGD
SCHEMBL8706583 0.81 HSD17B10 (0.71) MAPTKMT2APKMGAAHPGD
SCHEMBL27668680 0.81 KDM4E (0.54) MAPTKMT2AGAAHPGDALDH1A1
SCHEMBL8701481 0.80 KMT2A (0.62) MAPTKMT2APKMGAAALDH1A1
SCHEMBL13292702 0.79 MAPT (0.67) MAPTKMT2APKMGAAHPGD
SCHEMBL69530 0.79 MAPT (0.60) MAPTKMT2AALDH1A1KDM4EALOX5
SCHEMBL8705860 0.79 MAPT (0.63) MAPTKMT2APKMGAAHPGD
SCHEMBL8824663 0.79 MAPT (0.63) MAPTKMT2APKMGAAHPGD
SCHEMBL17674263 0.79 ALOX5 (0.58) MAPTKMT2AGAAHPGDALDH1A1
SCHEMBL542043 0.78 KMT2A (0.84) MAPTKMT2APKMGAAHPGD

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
US-5512586-A FOR INHIBITING METABOLISM OF COLLAGEN; IMMUNOSUPPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
US-5037839-A Hydroxylase enzyme inhibitors, influencing the metabolism of collagen and biosynthesis of c1q HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-06 US disclosed
US-4968670-A Pyridine-2,4- and 2,5-dicarboxylic acid derivatives, a process for their preparation, the use thereof, and medicaments based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-06 US disclosed