SCHEMBL9835626

SCHEMBL9835626

O=C(O)c1cc([N+](=O)[O-])ccc1NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
GAA P10253 1/20 0.68
CDK2 P24941 6/20 0.62
NPC1 O15118 1/20 0.62
TRPA1 O75762 1/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
HSD17B10 Q99714 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
CTSV O60911 3/20 0.61
CTSL P07711 3/20 0.61

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
SCHEMBL3462629 0.89 MAPT (0.64) MAPTKMT2AMEN1GAACDK2
SCHEMBL9833089 0.87 MAPT (0.70) MAPTKMT2AMEN1GAACDK2
SCHEMBL4212246 0.81 MAPT (1.00) MAPTKMT2AMEN1GAACDK2
SCHEMBL4211532 0.79 KMT2A (0.72) MAPTKMT2AMEN1GAACDK2
SCHEMBL3029764 0.79 MAPT (1.00) MAPTKMT2AMEN1GAACDK2
SCHEMBL4214475 0.79 CRHBP (0.70) MAPTKMT2AMEN1GAACDK2
SCHEMBL4201585 0.79 MAPT (0.85) MAPTKMT2AMEN1GAACDK2
SCHEMBL4205393 0.79 CRHBP (0.70) MAPTKMT2AMEN1GAACDK2
SCHEMBL9834480 0.79 CRHBP (0.70) MAPTKMT2AMEN1GAACDK2
SCHEMBL3462623 0.79 MAPT (0.58) MAPTKMT2AMEN1GAACDK2

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
EP-0210574-B1 N-SUBSTITUTED 5-NITRO ANTHRANILIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS BASED ON THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-23 EP disclosed
US-4994493-A Treatment of cerebral edema MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN (DE) 1991-02-19 US disclosed
EP-0210574-A2 N-substituted 5-nitro anthranilic acids, process for their preparation, their use and pharmaceutical compositions based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1987-02-04 EP disclosed