SCHEMBL9717136

SCHEMBL9717136

Oc1cc(Br)c(Br)c(Br)c1Br.Oc1cccc(Br)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
ALOX15 P16050 5/20 0.36
PTPN1 P18031 1/20 0.35
CA2 P00918 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
CA1 P00915 2/20 0.33
CA6 P23280 2/20 0.33
AKR1B1 P15121 2/20 0.33
CA4 P22748 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EGFR P00533 2/20 0.33
LMNA P02545 2/20 0.33
FYN P06241 2/20 0.33
MMP9 P14780 2/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADAMTS4 O75173 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 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
SCHEMBL386016 0.84
SCHEMBL28061989 0.82 CA2 (0.43) NQO2ALOX15CA2TDP1CA1
SCHEMBL30479640 0.82 PTPN1 (0.46) NQO2ALOX15PTPN1CA2TDP1
SCHEMBL144299 0.82 PTPN1 (0.46) NQO2ALOX15PTPN1CA2TDP1
Iodide SCHEMBL31484222 0.79 PTPN1 (0.44) NQO2ALOX15PTPN1CA2TDP1
Hydrogen Sulfide SCHEMBL28189848 0.79 PTPN1 (0.44) NQO2ALOX15PTPN1CA2TDP1
Ethane SCHEMBL10514068 0.77 PTPN1 (0.43) NQO2ALOX15PTPN1CA2TDP1
Phenol SCHEMBL9746501 0.77 CA2 (0.48) NQO2ALOX15PTPN1CA2TDP1
Methylene Chloride SCHEMBL28795521 0.76 ALDH1A1 (0.38) NQO2ALOX15CA2TDP1CA1
SCHEMBL25414587 0.71 ALOX15 (0.43) NQO2ALOX15CA2CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107984936-A A kind of reusable writing material and preparation method thereof 吉林大学 2018-05-04 CN disclosed
CN-105522839-B A kind of reusable water writing paper 吉林大学 2018-02-09 CN disclosed
CN-105500968-B A kind of reusable water writing paper 吉林大学 2017-07-28 CN disclosed
EP-0458900-A4 RESERVOIR FIBER OPTIC CHEMICAL SENSORS 1992-08-26 EP disclosed
EP-0458900-A1 RESERVOIR FIBER OPTIC CHEMICAL SENSORS FIBERCHEM, INC. (a Delaware corporation) (US) 1991-12-04 EP disclosed
WO-1990009602-A1 RESERVOIR FIBER OPTIC CHEMICAL SENSORS FIBERCHEM, INC. (US) 1990-08-23 WO disclosed