SCHEMBL27735807

SCHEMBL27735807

O=[N+]([O-])c1ccc(Cl)cc1-c1ccccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
TSHR P16473 1/20 0.59
HSD11B1 P28845 1/20 0.51
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE7A Q13946 5/20 0.47
PDE7B Q9NP56 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KIF18A Q8NI77 1/20 0.45
THRB P10828 1/20 0.45
PTPN1 P18031 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
SCHEMBL9732213 0.87 MAPK1 (0.66) MAPK1TSHRHSD11B1PDE7AL3MBTL1
SCHEMBL11516745 0.87 MAPK1 (0.69) MAPK1TSHRMAPTMEN1KMT2A
SCHEMBL2501193 0.87 MAPK1 (0.56) MAPK1TSHRHSD11B1MAPTHPGD
SCHEMBL28775421 0.86 MAPK1 (0.55) MAPK1TSHRHSD11B1MAPTHPGD
SCHEMBL25561346 0.84 MAPK1 (0.56) MAPK1TSHRHSD11B1MAPTHPGD
SCHEMBL4583256 0.83 ALDH1A1 (0.59) MAPK1TSHRHSD11B1MAPTHPGD
SCHEMBL21145383 0.83 GABRA1 (0.46) MAPK1TSHRHSD11B1MAPTHPGD
SCHEMBL27735860 0.83 TDP1 (0.51) MAPK1TSHRHSD11B1MAPTHPGD
SCHEMBL19997893 0.83 ALDH1A1 (0.61) MAPK1TSHRHSD11B1MAPTHPGD
SCHEMBL5415102 0.83 PDE7A (0.58) MAPK1TSHRHSD11B1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374799-B Process for preparing substituted biphenyls BASF SE 2012-05-23 CN disclosed
CN-101374799-A Process for preparing substituted biphenyls BASF SE (DE) 2009-02-25 CN disclosed