SCHEMBL279052

SCHEMBL279052

CCc1ccc(-c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
PTGES O14684 1/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KAT2B Q92831 1/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
ALPG P10696 1/20 0.43
HPRT1 P00492 1/20 0.42

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
SCHEMBL29864477 0.90 KAT2B (0.47) ALDH1A1TDP1PTGESMAPTRAB9A
SCHEMBL279043 0.90 KAT2B (0.47) ALDH1A1TDP1PTGESMAPTRAB9A
SCHEMBL3905288 0.85 ALDH1A1 (0.58) ALDH1A1TDP1PTGESMAPTRAB9A
SCHEMBL98895 0.84 ALDH1A1 (0.56) ALDH1A1TDP1PTGESMAPTRAB9A
SCHEMBL3904427 0.84 ALDH1A1 (0.56) ALDH1A1TDP1PTGESMAPTRAB9A
SCHEMBL15860172 0.84 ALDH1A1 (0.56) ALDH1A1TDP1PTGESMAPTRAB9A
SCHEMBL9590489 0.84 ALDH1A1 (0.56) ALDH1A1TDP1PTGESMAPTRAB9A
SCHEMBL3276779 0.84 ALDH1A1 (0.49) ALDH1A1TDP1PTGESMAPTLMNA
SCHEMBL101169 0.81 ALDH1A1 (0.53) ALDH1A1TDP1PTGESMAPTRAB9A
SCHEMBL98747 0.81 TDP1 (0.53) ALDH1A1TDP1PTGESMAPTRAB9A

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
JP-59065037-A None JP disclosed
US-8134143-B2 2,7-carbazolenevinylene derivatives as novel materials in producing organic based electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2012-03-13 US disclosed
US-20070176163-A1 2,7-Carbazolenevinylene derivatives as novel materials in producing organic based electronic devices NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2007-08-02 US disclosed
JP-S5965037-A PREPARATION OF 4-ACETYL-2-FLUOROBIPHENYL NISSHIN FLOUR MILLING CO LTD 1984-04-13 JP disclosed