SCHEMBL86132

SCHEMBL86132

O=C1C=c2ccccc2=CC1Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.32
CTSD P07339 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11539453 0.68 NFKB1 (0.48) NFKB1NFKB2RELAALDH1A1TDP1
SCHEMBL29248756 0.65 AKR1C3 (0.35) ALDH1A1TDP1
SCHEMBL2230989 0.63
SCHEMBL26797744 0.60 ALDH1A1 (0.32) NFKB1NFKB2RELAALDH1A1MAPK1
SCHEMBL6288897 0.60 NFKB1 (0.41) NFKB1NFKB2RELAALDH1A1TDP1
SCHEMBL2293575 0.60 LMNA (0.34) ALDH1A1TDP1RECQLHSD17B10
SCHEMBL24516527 0.58 NFKB1 (0.42) NFKB1NFKB2RELAALDH1A1TDP1
SCHEMBL6828416 0.57 BACE1 (0.43) TDP1NPSR1SMN1; SMN2MAPK1RECQL
SCHEMBL2230292 0.57 MAPT (0.40) ALDH1A1TDP1NPSR1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL8504449 0.55 BACE1 (0.42) TDP1NPSR1SMN1; SMN2MAPK1RECQL

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
US-8129303-B2 Pathogen-resistant fabrics LOMBARDI JOHN L (US) 2012-03-06 US disclosed
US-8129303-B2 Pathogen-resistant fabrics LOMBARDI JOHN L (US) 2012-03-06 US disclosed
US-20110183572-A1 Pathogen-Resistant Fabrics LOMBARDI JOHN L 2011-07-28 US disclosed
US-20110183572-A1 Pathogen-Resistant Fabrics LOMBARDI JOHN L 2011-07-28 US disclosed