SCHEMBL9328126

SCHEMBL9328126

O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c(Br)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 9/20 0.57
ERN1 O75460 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TTR P02766 1/20 0.52
CYP1A2 P05177 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CRHBP P24387 1/20 0.48

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
SCHEMBL1283748 0.82 GPR35 (0.64) GPR35ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4144580 0.81 ERN1 (0.69) GPR35ERN1ALDH1A1MEN1KMT2A
SCHEMBL1479104 0.78 GPR35 (0.59) GPR35ALDH1A1MEN1KMT2AKDM4E
SCHEMBL590156 0.78 GPR35 (0.59) GPR35ALDH1A1MEN1KMT2AKDM4E
SCHEMBL69964 0.78 GPR35 (0.59) GPR35ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11211745 0.77 GPR35 (0.52) GPR35ERN1ALDH1A1MEN1KMT2A
SCHEMBL9859737 0.77 CYP1A2 (0.50) GPR35ERN1ALDH1A1MEN1KMT2A
SCHEMBL17744644 0.77 GPR35 (0.52) GPR35ERN1ALDH1A1MEN1KMT2A
SCHEMBL17744319 0.77 GPR35 (0.50) GPR35ERN1ALDH1A1MEN1KMT2A
SCHEMBL9112380 0.76 GPR35 (0.83) GPR35ALDH1A1MEN1KMT2AKDM4E

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
US-5360932-A Process for reducing aromatic halo-dinitro-diols in the presence of hydrogen halide THE DOW CHEMICAL COMPANY (US) 1994-11-01 US disclosed
EP-0484404-A4 AQUEOUS REDUCTION PROCESS FOR HALO-NITRO-PHENOLS 1992-07-01 EP disclosed
EP-0484404-A1 AQUEOUS REDUCTION PROCESS FOR HALO-NITRO-PHENOLS THE DOW CHEMICAL COMPANY (US) 1992-05-13 EP disclosed
US-5001265-A Aqueous reduction process for halo-nitro-phenols THE DOW CHEMICAL COMPANY (US) 1991-03-19 US disclosed
WO-1991001967-A1 AQUEOUS REDUCTION PROCESS FOR HALO-NITRO-PHENOLS THE DOW CHEMICAL COMPANY (US) 1991-02-21 WO disclosed