SCHEMBL7466622

SCHEMBL7466622

[CH2]OC(Cc1c(F)cccc1F)c1cccc2[nH]c(-c3c(F)cccc3F)nc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.39
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
GRIN2B Q13224 4/20 0.34
PARP1 P09874 1/20 0.34
PTGES O14684 2/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL7466629 0.88 MGAM (0.40) DHODHMGAMGAASIMGAM2
SCHEMBL5202581 0.81 DHODH (0.41) DHODHMGAMGAASIMGAM2
SCHEMBL7471192 0.71 DHODH (0.45) DHODHMGAMGAASIMGAM2
SCHEMBL5201195 0.68 MGAM (0.72) MGAMGAASIMGAM2
SCHEMBL7464040 0.68 HTT (0.42) DHODHMGAMGAASIMGAM2
SCHEMBL5202493 0.68 DHODH (0.50) DHODHPARP1
SCHEMBL5202010 0.67 CBFB (0.58) DHODHMGAMGAASIMGAM2
SCHEMBL5202972 0.67 DHODH (0.49) DHODHMGAMGAASIMGAM2
SCHEMBL7464047 0.67 MGAM (0.42) DHODHMGAMGAASIMGAM2
SCHEMBL7469492 0.66 MGAM (0.47) 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 2 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