SCHEMBL9250273

SCHEMBL9250273

O=C(O)c1c(CBr)cc2ccccc2c1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP1A2 P05177 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GLA P06280 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51
RXFP1 Q9HBX9 1/20 0.44
GPR35 Q9HC97 2/20 0.41
POLB P06746 1/20 0.41
CDC25B P30305 3/20 0.41
TDP1 Q9NUW8 2/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 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
SCHEMBL313151 0.86 MEN1 (0.66) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL897604 0.84 MEN1 (0.63) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL28080648 0.82 HPGD (0.47) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL28751492 0.81 MEN1 (0.59) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL6844838 0.81 KDM4E (0.53) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL2880041 0.79 MEN1 (0.56) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL28051080 0.78 MEN1 (0.54) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL4731723 0.77 ME2 (0.73) MEN1KMT2AKDM4ECYP1A2ALDH1A1
Anthracene-9-Carboxylic Acid SCHEMBL122832 0.77 MEN1 (1.00) MEN1KMT2AKDM4ECYP1A2ALDH1A1
Anthracene-9-Carboxylic Acid SCHEMBL29352186 0.77 MEN1 (1.00) MEN1KMT2AKDM4ECYP1A2ALDH1A1

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
EP-0666849-A4 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1995-12-13 EP disclosed
EP-0666849-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-16 EP disclosed
WO-1994010148-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-11 WO disclosed