SCHEMBL7473522

SCHEMBL7473522

CCC(c1ccccc1)c1ccc2[nH]c(-c3c(F)cccc3F)nc2c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
GRIN2B Q13224 3/20 0.38
DHODH Q02127 8/20 0.37
CYP2C9 P11712 2/20 0.35
CBFB Q13951 2/20 0.35
MAPK14 Q16539 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGES O14684 1/20 0.34
JAK2 O60674 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL7466321 0.78 MGAM (0.41) MGAMGAASIMGAM2GRIN2B
SCHEMBL7474192 0.75 MGAM (0.38) MGAMGAASIMGAM2GRIN2B
SCHEMBL5202010 0.71 CBFB (0.58) MGAMGAASIMGAM2DHODH
SCHEMBL5202972 0.68 DHODH (0.49) MGAMGAASIMGAM2GRIN2B
SCHEMBL7466629 0.68 MGAM (0.40) MGAMGAASIMGAM2GRIN2B
SCHEMBL7089046 0.67 MGAM (0.47) MGAMGAASIMGAM2GRIN2B
SCHEMBL5203539 0.67 CBFB (0.55) MGAMGAASIMGAM2DHODH
SCHEMBL5201195 0.66 MGAM (0.72) MGAMGAASIMGAM2CBFB
SCHEMBL7465458 0.65 MGAM (0.48) MGAMGAASIMGAM2GRIN2B
SCHEMBL7463314 0.65 GRIN2B (0.41) MGAMGAASIMGAM2GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210336-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE UNITED STATES OF AMERICA, as represented by the Secretary of the Department of Health and Human Services (US) 2002-06-05 EP disclosed
WO-2001014343-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-03-01 WO disclosed
EP-0963371-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-15 EP disclosed
WO-1998037072-A1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-08-27 WO disclosed