SCHEMBL6580247

SCHEMBL6580247

O=C(O)c1nnnn1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
TGM2 P21980 1/20 0.46
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
TYR P14679 1/20 0.43
TSHR P16473 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGES2 Q9H7Z7 1/20 0.42
FEN1 P39748 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41

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
SCHEMBL6580243 1.00 CYP1A2 (0.46) CYP1A2CYP2C19TGM2ALDH1A1KDM4E
SCHEMBL10961137 0.83 SLC5A1 (0.44) CYP1A2CYP2C19TGM2ALDH1A1KDM4E
SCHEMBL10959710 0.83 KMT2A (0.49) CYP1A2CYP2C19ALDH1A1LMNATSHR
SCHEMBL6580053 0.83 ALOX5 (0.41) CYP1A2CYP2C19TSHRALOX5PTGES2
SCHEMBL6580049 0.83 ALOX5 (0.41) CYP1A2CYP2C19TSHRALOX5PTGES2
SCHEMBL6581989 0.76 TGM2 (0.51) TGM2ALDH1A1KDM4ELMNAHTT
SCHEMBL6577327 0.75 HPGD (0.54) ALDH1A1LMNATSHRFEN1MEN1
SCHEMBL23780328 0.75 NPC1 (0.47) CYP2C19ALDH1A1KDM4ELMNAHTT
SCHEMBL11271744 0.74 HPGD (0.53) ALDH1A1LMNATSHRFEN1MEN1
SCHEMBL6357752 0.71 P2RX7 (0.67) CYP1A2CYP2C19TYR

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-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed