SCHEMBL7020103

SCHEMBL7020103

CCCc1cc(F)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.44
TTR P02766 4/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 1/20 0.40
XDH P47989 1/20 0.39

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
SCHEMBL5078798 0.88 GPR35 (0.57) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL29017090 0.87 GPR35 (0.47) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL7026296 0.83 TTR (0.47) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL27496251 0.82 GPR35 (0.46) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL31296199 0.81 TTR (0.46) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL27974156 0.80 TTR (0.41) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL1523705 0.78 CNR1 (0.43) HPGDMAPK1ESR1
SCHEMBL11066481 0.78 GPR35 (0.42) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL8736399 0.78 GPR35 (0.53) GPR35ALDH1A1HPGDMAPK1ESR1
SCHEMBL24802265 0.78 GRIN2D (0.37) ALDH1A1KDM4ETDP1HIF1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1216851-C Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2005-08-31 CN disclosed
CN-1426390-A Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2003-06-25 CN disclosed
EP-1277727-A1 PROCESS FOR PRODUCING BIS(4-HYDROXY-3-NITROPHENYL) COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2003-01-22 EP disclosed