SCHEMBL7465458

SCHEMBL7465458

Fc1cccc(F)c1-c1nc2c(Cc3ccccc3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.48
GAA P10253 3/20 0.48
SI P14410 3/20 0.48
MGAM2 Q2M2H8 3/20 0.48
DHODH Q02127 11/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
GRIN2B Q13224 1/20 0.42
PARP1 P09874 1/20 0.40
PTGES O14684 1/20 0.39
JAK2 O60674 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL7471192 0.86 DHODH (0.45) MGAMGAASIMGAM2DHODH
SCHEMBL7089046 0.84 MGAM (0.47) MGAMGAASIMGAM2DHODH
SCHEMBL8816937 0.82 CYP1A2 (0.59) MGAMGAASIMGAM2DHODH
SCHEMBL7466321 0.81 MGAM (0.41) MGAMGAASIMGAM2DHODH
SCHEMBL5202972 0.81 DHODH (0.49) MGAMGAASIMGAM2DHODH
SCHEMBL7461763 0.78 GRIN2B (0.54) MGAMGAASIMGAM2DHODH
SCHEMBL6686102 0.77 MGAM (0.62) MGAMGAASIMGAM2DHODH
SCHEMBL5201195 0.76 MGAM (0.72) MGAMGAASIMGAM2ESR1
SCHEMBL8521769 0.76 MGAM (0.43) MGAMGAASIMGAM2DHODH
SCHEMBL7464040 0.76 HTT (0.42) MGAMGAASIMGAM2DHODH

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