SCHEMBL4076563

SCHEMBL4076563

c1ccc2c(-[n+]3c4ccccc4cc4ccccc43)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 5/20 0.50
CYP2D6 P10635 3/20 0.50
HIF1A Q16665 2/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 3/20 0.45
HSD17B10 Q99714 4/20 0.39
CYP2A6 P11509 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1B1 Q16678 1/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.37
KEAP1 Q14145 1/20 0.37
HPRT1 P00492 1/20 0.36

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
SCHEMBL4014123 0.78 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6HIF1ACYP2C9
Hydrochloric Acid SCHEMBL8846042 0.72 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2D6HIF1ACYP2C9
SCHEMBL16470359 0.69 ACHE (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3399835 0.69 ATM (0.52) ALDH1A1CYP1A2MAPK1CYP2C19ATM
Hydrochloric Acid SCHEMBL3913860 0.69 ATM (0.52) ALDH1A1CYP1A2MAPK1CYP2C19ATM
SCHEMBL4887318 0.65 ALDH1A1 (0.42) ALDH1A1CYP1A2HIF1ACYP2C9CYP2C19
Phenanthrene SCHEMBL3339627 0.63 ALDH1A1 (0.80) ALDH1A1CYP1A2HIF1AHSD17B10CYP2A6
SCHEMBL3084819 0.62 ATM (1.00) ALDH1A1HIF1AATMHSD17B10CYP2A6
Anthracene SCHEMBL4659489 0.62 ALDH1A1 (0.50) ALDH1A1CYP1A2HIF1AMAPK1HSD17B10
SCHEMBL29464772 0.62 ATM (0.56) HIF1AATMMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747701-B1 Micelle protection assay GEN PROBE INC (US) 2001-12-05 EP claimed
US-7572588-B2 Modified probe molecules having self-complementary regions GEN-PROBE INCORPORATED (US) 2009-08-11 US disclosed
US-7563579-B2 Method for detecting a structured target GEN-PROBE INCORPORATED (US) 2009-07-21 US disclosed
US-7495093-B2 Amplification and detection method GEN-PROBE INCORPORATED (US) 2009-02-24 US disclosed
US-20080114161-A1 Single-stranded RNA tag for detection of preferential gene sequences; gene expression analysis; genomics GEN-PROBE INCORPORATED (US) 2008-05-15 US disclosed
US-20080090246-A1 AMPLIFICATION AND DETECTION METHOD GEN-PROBE INCORPORATED (US) 2008-04-17 US disclosed
US-20080090247-A1 METHOD FOR DETECTING A STRUCTURED TARGET GEN-PROBE INCORPORATED (US) 2008-04-17 US disclosed
US-7070925-B1 Method for determining the presence of an RNA analyte in a sample using a modified oligonucleotide probe GEN-PROBE INCORPORATED (US) 2006-07-04 US disclosed
US-6903206-B1 Kits for amplifying target nucleic acid sequences using modified oligonucleotides GEN-PROBE INCORPORATED (US) 2005-06-07 US disclosed
US-20050106610-A1 Kits containing modified amplification oligonucleotides GEN-PROBE INCORPORATED 2005-05-19 US disclosed