SCHEMBL3095573

SCHEMBL3095573

ONc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.67
CYP3A4 P08684 1/20 0.67
ADRA2A P08913 1/20 0.63
MAOA P21397 1/20 0.63
SLC6A2 P23975 1/20 0.63
HTR2C P28335 1/20 0.63
SLC6A4 P31645 1/20 0.63
HTR2B P41595 1/20 0.63
RAB9A P51151 6/20 0.56
NPC1 O15118 4/20 0.56
KDM4E B2RXH2 5/20 0.55
LMNA P02545 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 4/20 0.54
MAPT P10636 3/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 3/20 0.53

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
SCHEMBL2168131 0.84 CYP1A2 (0.66) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL1921953 0.82 CYP1A2 (0.64) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL8918523 0.81 CYP1A2 (0.63) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL13772046 0.80 CYP1A2 (1.00) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL4981643 0.80 CYP1A2 (0.71) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL1921956 0.79 CYP1A2 (0.60) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL2165580 0.79 CYP1A2 (0.60) CYP1A2CYP3A4ADRA2AMAOASLC6A2
Bromide SCHEMBL5461853 0.79 CYP1A2 (0.69) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL2720506 0.78 ALDH1A1 (0.70) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL1921940 0.78 CYP1A2 (0.58) CYP1A2CYP3A4ADRA2AMAOASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803554-B2 Detection of binding factors with fluorescence polarization LE XIAO-CHUN CHRIS 2010-09-28 US disclosed
US-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed
US-6921641-B2 Thermostable UvrA and UvrB polypeptides and methods of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-07-26 US disclosed
US-20050037377-A1 Detection of binding factors with fluorescence polarization LE XIAO-CHUN CHRIS (CA) 2005-02-17 US disclosed
US-20050002923-A1 Thermostable uvra, uvrb, and uvrc polypeptides and methods of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2005-01-06 US disclosed
US-6818428-B1 FOR DIAGNOSING SPONDYLOEPIMETAPHYSEAL DYSPLASIA (SEMD)/DETECTION OF ALLELES IN HUMANS; GENE/PROTEIN THERAPY; FUSION PROTEINS; HIV TAT GENES/PROTEINS CEDARS SINAI MEDICAL CENTER 2004-11-16 US disclosed
US-20030195162-A1 Genetic marker for spondyloepimetaphyseal dysplasia NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-16 US disclosed
WO-2003033647-A2 THERMOSTABLE UvrA, UvrB, AND UvrC POLYPEPTIDES AND METHODS OF USE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-04-24 WO disclosed
US-20030073113-A1 Thermostable UvrA and UvrB polypeptides and methods of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-04-17 US disclosed
WO-2003014324-A2 THERMOSTABLE UVRA AND UVRB POLIPEPTIDES AND METHODS OF USE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-02-20 WO disclosed
US-20020061531-A1 Detection of binding factors with fluorescence polarization LE XIAO-CHUN CHRIS (CA) 2002-05-23 US disclosed
US-6132968-A COUNTING ADJUSTMENTS IN NUCLEIC ACID SEQUENCES IN SAMPLE; MIXING NUCLEIC ACIDS, ANTIBODIES AND FLUORESCENTLY LABELED POLYPEPTIDE SEQUENCES, SEPARATING LABELED COMPLEXES BY ELECTROPHORESIS; DETECTING AND COUNTING COMPLEXES UNIVERSITY OF ALBERTA (CA) 2000-10-17 US disclosed
WO-1999058971-A2 METHODS FOR QUANTITATING LOW LEVEL MODIFICATIONS OF NUCLEOTIDE SEQUENCES LE XIAO CHUN (CA) 1999-11-18 WO disclosed