SCHEMBL7467113

SCHEMBL7467113

C=C(C)c1c(Cc2c(F)cccc2F)ccc2[nH]c(-c3c(F)cccc3F)nc12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
GRIN2B Q13224 8/20 0.36
MPO P05164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
PARP1 P09874 1/20 0.33
PTGES O14684 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
SCHEMBL7472922 0.83 DHODH (0.41) DHODHMGAMGAASIMGAM2
SCHEMBL7464874 0.83 DHODH (0.41) DHODHMGAMGAASIMGAM2
SCHEMBL7469303 0.82 MGAM (0.43) DHODHMGAMGAASIMGAM2
SCHEMBL7466323 0.81 DHODH (0.41) DHODHMGAMGAASIMGAM2
SCHEMBL7460756 0.81 GRIN2B (0.41) DHODHMGAMGAASIMGAM2
SCHEMBL7463314 0.81 GRIN2B (0.41) DHODHMGAMGAASIMGAM2
SCHEMBL7462931 0.79 MPO (0.42) DHODHMGAMGAASIMGAM2
SCHEMBL5204317 0.79 DHODH (0.39) DHODHMGAMGAASIMGAM2
SCHEMBL7473134 0.79 PTGES (0.40) DHODHMGAMGAASIMGAM2
SCHEMBL7465091 0.79 DHODH (0.41) DHODHGRIN2BPTGDR2PARP1PTGES

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