SCHEMBL8299247

SCHEMBL8299247

COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 4/20 0.50
HPGD P15428 2/20 0.50
RORC P51449 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48

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
SCHEMBL6938883 0.89 MEN1 (0.53) PDE5AGAAMEN1KMT2ANPC1
SCHEMBL8292287 0.86 GAA (0.57) GAALMNAHPGD
SCHEMBL2312343 0.86 MEN1 (0.58) MEN1KMT2ALMNAHPGDRORC
SCHEMBL6944281 0.84 GAA (0.55) GAAMEN1KMT2ALMNAHPGD
SCHEMBL6940154 0.84 PDE5A (0.47) PDE5AGAAMEN1KMT2ANPC1
SCHEMBL3844596 0.83 MEN1 (0.52) GAAMEN1KMT2ALMNAHPGD
SCHEMBL3359400 0.83 HPGD (0.63) GAAMEN1KMT2ANPC1HPGD
SCHEMBL7391649 0.83 PDE5A (0.46) PDE5AGAAMEN1KMT2ANPC1
SCHEMBL8301375 0.82 NLRP3 (0.53) GAALMNAHPGD
SCHEMBL6940100 0.82 MEN1 (0.52) MEN1KMT2ANPC1LMNARORC

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 4 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