SCHEMBL6237455

SCHEMBL6237455

CCCCC(Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ERN1 O75460 1/20 0.41
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
GLO1 Q04760 1/20 0.39
KMT2A Q03164 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6465591 0.92 ERN1 (0.42) MAPTCRHBPCRHR2ERN1LMNA
SCHEMBL6459325 0.91 ALDH1A1 (0.42) MAPTERN1LMNAPOLBALDH1A1
SCHEMBL7643417 0.90 ERN1 (0.38) MAPTERN1LMNAPOLBALDH1A1
SCHEMBL6465588 0.89 ERN1 (0.43) MAPTERN1LMNACYP2D6POLB
SCHEMBL6233340 0.89 ERN1 (0.43) MAPTERN1LMNACYP2D6POLB
SCHEMBL14634986 0.82 PTGDR2 (0.46) MAPTERN1LMNACYP2C19NPSR1
SCHEMBL11755152 0.79 TDP1 (0.42) MAPTLMNACYP3A4NPSR1POLB
SCHEMBL2562538 0.78 ERN1 (0.46) MAPTERN1CYP2D6POLBALDH1A1
SCHEMBL28825735 0.76 MAPT (0.55) MAPTERN1LMNACYP3A4CYP2D6
SCHEMBL31327257 0.76 MAPT (0.55) MAPTERN1LMNACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222159-B1 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE SA (FR) 2005-06-01 EP claimed