SCHEMBL3500607

SCHEMBL3500607

Cc1c(N)c([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.57
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
NSD2 O96028 1/20 0.46
GAA P10253 1/20 0.46
PLCG1 P19174 1/20 0.46
DNMT1 P26358 1/20 0.46
CASP6 P55212 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 0.44
RECQL P46063 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL9500870 0.86 GPR35 (0.68) GPR35ALDH1A1CA12CA1CA2
SCHEMBL2100657 0.86 TSHR (0.55) GPR35ALDH1A1TSHRCYP1A2RECQL
SCHEMBL2056822 0.85 GPR35 (0.52) GPR35ALDH1A1TSHRCA12CA1
SCHEMBL28239608 0.81 GPR35 (0.59) GPR35ALDH1A1TSHRCA12CA1
Hydrochloric Acid SCHEMBL27931552 0.79 GPR35 (0.58) GPR35ALDH1A1TSHRCA12CA1
SCHEMBL19501351 0.78 TSHR (0.48) GPR35ALDH1A1TSHRCYP1A2RECQL
SCHEMBL1758269 0.78 GPR35 (0.52) GPR35ALDH1A1CA12CA1CA2
SCHEMBL29262876 0.78 GPR35 (0.63) GPR35ALDH1A1CA12CA1CA2
SCHEMBL10981846 0.77 TSHR (0.55) GPR35ALDH1A1TSHRL3MBTL1CYP1A2
SCHEMBL3459834 0.77 GPR35 (0.48) GPR35ALDH1A1TSHRCYP1A2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160369237-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECH INC (US) 2016-12-22 US disclosed
US-20100184033-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY Lineage Cell Therapeutics, Inc. 2010-07-22 US disclosed
US-20080226601-A1 Herpes Virus-Based Compositions and Methods of Use in the Prenatal and Perinatal Periods UNIVERSITY OF ROCHESTER (US) 2008-09-18 US disclosed
EP-1903873-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS THE UNIVERSITY OF ROCHESTER (US) 2008-04-02 EP disclosed
US-20080070303-A1 Using myocardial and/or muscle progenitor cells as modeling tool in tissue engineering; regenerative medicine and organ replacement ADVANCED CELL TECHNOLOGY 2008-03-20 US disclosed
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed
WO-2006135602-A2 HERPES VIRUS-BASED COMPOSITIONS AND METHODS OF USE IN THE PRENATAL AND PERINATAL PERIODS UNIVERSITY OF ROCHESTER (US) 2006-12-21 WO disclosed