SCHEMBL6580053

SCHEMBL6580053

O=C(O)c1nnnn1Cc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
PTGES2 Q9H7Z7 1/20 0.41
POLB P06746 2/20 0.40
ACLY P53396 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
PTGES O14684 1/20 0.37
APP P05067 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6580049 1.00 ALOX5 (0.41) ALOX5PTGES2POLBACLYMEN1
SCHEMBL10959710 0.91 KMT2A (0.49) POLBMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6580247 0.83 CYP1A2 (0.46) ALOX5PTGES2POLBMEN1KMT2A
SCHEMBL6580243 0.83 CYP1A2 (0.46) ALOX5PTGES2POLBMEN1KMT2A
SCHEMBL6580285 0.82 POLB (0.58) POLBCYP1A2CYP3A4HPGDNPC1
SCHEMBL6581880 0.80 POLB (0.43) POLBCYP1A2CYP3A4HPGDNPC1
SCHEMBL6582004 0.78 POLB (0.40) POLBCYP1A2CYP3A4HPGDNPC1
SCHEMBL6581989 0.75 TGM2 (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL442788 0.70 CYP1A2 (0.69) POLBACLYCYP1A2CYP3A4HPGD
SCHEMBL9452749 0.70 CYP1A2 (0.69) POLBACLYCYP1A2CYP3A4HPGD

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