SCHEMBL7471192

SCHEMBL7471192

Fc1cccc(F)c1Cc1cccc2[nH]c(-c3c(F)cccc3F)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.45
MGAM O43451 3/20 0.43
GAA P10253 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
MPO P05164 1/20 0.40
PARP1 P09874 1/20 0.39
GRIN2B Q13224 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
PTGES O14684 1/20 0.38
JAK2 O60674 1/20 0.38
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 2/20 0.37
NFKB1 P19838 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37

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
SCHEMBL7465458 0.86 MGAM (0.48) DHODHMGAMGAASIMGAM2
SCHEMBL7461763 0.86 GRIN2B (0.54) DHODHMGAMGAASIMGAM2
SCHEMBL5202972 0.84 DHODH (0.49) DHODHMGAMGAASIMGAM2
SCHEMBL5204317 0.83 DHODH (0.39) DHODHMGAMGAASIMGAM2
SCHEMBL7464040 0.83 HTT (0.42) DHODHMGAMGAASIMGAM2
SCHEMBL7475279 0.83 MPO (0.45) DHODHMPOPTGESJAK2
SCHEMBL7473134 0.83 PTGES (0.40) DHODHMGAMGAASIMGAM2
SCHEMBL7469303 0.83 MGAM (0.43) DHODHMGAMGAASIMGAM2
SCHEMBL7462931 0.83 MPO (0.42) DHODHMGAMGAASIMGAM2
SCHEMBL7463314 0.82 GRIN2B (0.41) DHODHMGAMGAASIMGAM2

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 8 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 claimed
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 claimed
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 claimed
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 claimed
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