SCHEMBL8767757

SCHEMBL8767757

O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.63
MAPK1 P28482 4/20 0.55
TSHR P16473 2/20 0.55
GPR35 Q9HC97 5/20 0.53
VCAM1 P19320 3/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CXCR2 P25025 1/20 0.45
P2RX1 P51575 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 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
SCHEMBL11555308 0.91 ALDH1A1 (0.69) ALDH1A1CYP3A4MAPK1TSHRGPR35
SCHEMBL68172 0.89 ALDH1A1 (0.71) ALDH1A1CYP3A4MAPK1TSHRGPR35
SCHEMBL305109 0.89 ALDH1A1 (0.55) ALDH1A1CYP3A4MAPK1TSHRGPR35
SCHEMBL5642359 0.87 ALDH1A1 (0.63) ALDH1A1CYP3A4MAPK1TSHRGPR35
SCHEMBL359519 0.84 TSHR (0.60) ALDH1A1CYP3A4MAPK1TSHRGPR35
SCHEMBL70180 0.84 GPR35 (0.58) ALDH1A1CYP3A4MAPK1TSHRGPR35
SCHEMBL2565885 0.83 ALDH1A1 (0.69) ALDH1A1CYP3A4MAPK1TSHRGPR35
SCHEMBL810599 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPK1TSHRGPR35
SCHEMBL22123135 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4MAPK1TSHRGPR35
SCHEMBL4699370 0.82 ALDH1A1 (0.86) ALDH1A1CYP3A4MAPK1TSHRGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3936447-A 7-Acylamino-desacetoxy-cephalosporanic acid esters and their production BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US claimed
CN-109748797-A A method of synthesis fluoro- 2,4 2,4-dinitrophenoxy of 2-(5-) acetic acid esters 内蒙古世杰化工有限公司 2019-05-14 CN disclosed
EP-0592511-B1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC (US) 1997-08-20 EP disclosed
EP-0669927-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1995-09-06 EP disclosed
US-5405938-A Hydrogen bonding an N-heterocyclic-substituted ribose-based polymer to a double-stranded DNA to block genetic activity, to diagnose for pathogens and to aid in genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1995-04-11 US disclosed
WO-1994012517-A1 SEQUENCE-SPECIFIC BINDING POLYMERS FOR DUPLEX NUCLEIC ACIDS ANTIVIRALS INC. (US) 1994-06-09 WO disclosed
US-5166315-A Polynucleotides for genetic engineering ANTI-GENE DEVELOPMENT GROUP (US) 1992-11-24 US disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 US disclosed
US-3941839-A HERBICIDE CIBA-GEIGY AG (CH) 1976-03-02 US disclosed
US-3941832-A Oxime ethers and pesticidal preparations containing them CIBA-GEIGY AG (CH) 1976-03-02 US disclosed
US-3936447-A 7-Acylamino-desacetoxy-cephalosporanic acid esters and their production BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US disclosed