SCHEMBL9686971

SCHEMBL9686971

O=[N+]([O-])c1cc(CCl)c(Cl)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.47
PIN1 Q13526 3/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
PGK1 P00558 1/20 0.36
MAPK1 P28482 1/20 0.36
GPR35 Q9HC97 1/20 0.35
SNCA P37840 1/20 0.35
GFER P55789 1/20 0.35
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
VCAM1 P19320 1/20 0.34
PDE7A Q13946 2/20 0.33

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
SCHEMBL8461057 0.78 TSHR (0.59) TSHRALDH1A1MAPK1GPR35SNCA
SCHEMBL29757749 0.76 TSHR (0.45) TSHRALDH1A1KMT2APGK1MAPK1
SCHEMBL56541 0.76 TSHR (0.45) TSHRALDH1A1KMT2APGK1MAPK1
SCHEMBL2244787 0.75 PGK1 (0.41) TSHRALDH1A1PIN1PGK1MAPK1
SCHEMBL1626023 0.73 TSHR (0.50) TSHRALDH1A1PGK1MAPK1GPR35
SCHEMBL1625327 0.73 CYP1A2 (0.44) TSHRALDH1A1NPSR1PGK1MAPK1
SCHEMBL30242608 0.73 CYP1A2 (0.44) TSHRALDH1A1NPSR1PGK1MAPK1
SCHEMBL29790171 0.73 TSHR (0.50) TSHRALDH1A1PGK1MAPK1GPR35
SCHEMBL26094505 0.73 KEAP1 (0.44) TSHRALDH1A1PIN1KMT2AMAPK1
SCHEMBL11002997 0.73 ALDH1A1 (0.46) TSHRALDH1A1NPSR1PGK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187376-B1 6,7-DISUBSTITUTED 1-CYCLOPROPYL-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACIDS BAYER AG (DE) 1992-05-13 EP disclosed
US-4840954-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP disclosed
US-4521603-A Continuous process for the production of polybromopyridine compounds OLIN CORPORATION (US) 1985-06-04 US disclosed
US-3974166-A FUNGICIDE CIBA-GEIGY CORPORATION (US) 1976-08-10 US disclosed