SCHEMBL6726283

SCHEMBL6726283

O=[N+]([O-])C1=C(c2ccccc2)C=CC[CH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.36
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
ABCC1 P33527 2/20 0.34
ABCB1 P08183 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 2/20 0.33
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
MAPT P10636 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPSR1 Q6W5P4 3/20 0.31
PKM P14618 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5156759 0.68 ALDH1A1 (0.32) ALDH1A1TDP1LMNAMAPTHTT
SCHEMBL4522415 0.64 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7821731 0.61 CFTR (0.37) ALDH1A1TDP1LMNACRHBPCRHR2
SCHEMBL6205053 0.61
Biphenyl SCHEMBL27380379 0.60 ALDH1A1 (0.75) ALDH1A1TDP1LMNACRHBPCRHR2
Biphenyl SCHEMBL27480125 0.60 ALDH1A1 (0.71) ALDH1A1TDP1LMNACRHBPCRHR2
Biphenyl SCHEMBL9403462 0.60 ALDH1A1 (0.84) ALDH1A1TDP1LMNACRHBPCRHR2
Biphenyl SCHEMBL6919136 0.58 ALDH1A1 (0.53) ALDH1A1TDP1LMNACRHBPCRHR2
Biphenyl SCHEMBL27821216 0.58 CRHBP (0.56) ALDH1A1TDP1LMNACRHBPCRHR2
SCHEMBL25187033 0.58 MAPK1 (0.74) ALDH1A1TDP1LMNACRHBPCRHR2

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
US-6677163-B1 SIMPLE AND DURABLE IMMOBILIZATION OF BIOMOLECULES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2004-01-13 US disclosed