SCHEMBL7469780

SCHEMBL7469780

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
GRIN2B Q13224 7/20 0.37
DHODH Q02127 4/20 0.37
MPO P05164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PTGES O14684 1/20 0.33
JAK2 O60674 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
MAPK14 Q16539 2/20 0.33
ADORA2B P29275 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
SCHEMBL7468106 0.87 DHODH (0.40) MGAMGAASIMGAM2GRIN2B
SCHEMBL7469303 0.84 MGAM (0.43) MGAMGAASIMGAM2GRIN2B
SCHEMBL7460756 0.82 GRIN2B (0.41) MGAMGAASIMGAM2GRIN2B
SCHEMBL7463314 0.82 GRIN2B (0.41) MGAMGAASIMGAM2GRIN2B
SCHEMBL5204317 0.81 DHODH (0.39) MGAMGAASIMGAM2GRIN2B
SCHEMBL7473134 0.81 PTGES (0.40) MGAMGAASIMGAM2GRIN2B
SCHEMBL7462931 0.81 MPO (0.42) MGAMGAASIMGAM2GRIN2B
SCHEMBL7472922 0.81 DHODH (0.41) MGAMGAASIMGAM2GRIN2B
SCHEMBL7474192 0.81 MGAM (0.38) MGAMGAASIMGAM2GRIN2B
SCHEMBL7471192 0.80 DHODH (0.45) 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