SCHEMBL8302020

SCHEMBL8302020

O=C(O)c1cc(-n2cccn2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.48
ALDH1A1 P00352 9/20 0.43
MAPT P10636 8/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
LMNA P02545 5/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KAT6A Q92794 1/20 0.43
HTT P42858 1/20 0.42
MDM2 Q00987 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
NOTUM Q6P988 1/20 0.40
TSHR P16473 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL13206126 0.89 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3366196 0.85 SIRT6 (0.57) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7415910 0.82 JAK2 (0.48) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL19260129 0.82 MAPT (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL27870573 0.79 TSHR (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL25218344 0.79 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4137682 0.79 HPGD (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5333636 0.79 LMNA (0.52) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL31277054 0.79 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL8296716 0.77 IP6K1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
CN-1118595-A Anthranilic acid derivative EISAI CO LTD (JP) 1996-03-13 CN disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP disclosed
US-5039329-A Plant growth regulators CIBA-GEIGY CORPORATION (US) 1991-08-13 US disclosed
US-4946492-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1990-08-07 US disclosed