SCHEMBL1666013

SCHEMBL1666013

CC(C)C([O])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 7/20 0.51
HSD17B10 Q99714 1/20 0.48
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR35 Q9HC97 1/20 0.41
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
MAPT P10636 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3327700 0.84 CYP1A2 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL1667854 0.82 CYP1A2 (0.54) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL13347475 0.82 ALDH1A1 (0.53) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL29538594 0.82 CYP1A2 (0.59) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL3979945 0.82 CYP1A2 (0.59) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL16284318 0.82 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL16687493 0.82 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL254406 0.82 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL30800630 0.82 ALDH1A1 (0.56) CYP1A2ALDH1A1HSD17B10TSHRTDP1
SCHEMBL4353073 0.79 CYP1A2 (0.59) CYP1A2ALDH1A1HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307565-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING Lasergen, Inc. (US) 2011-04-13 EP disclosed
WO-2009152353-A2 NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN, INC. (US) 2009-12-17 WO disclosed