SCHEMBL7466629

SCHEMBL7466629

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.40
GAA P10253 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
DHODH Q02127 6/20 0.39
GRIN2B Q13224 2/20 0.37
EGFR P00533 1/20 0.36
PTGES O14684 6/20 0.35
JAK2 O60674 1/20 0.35
CBFB Q13951 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL7466622 0.88 DHODH (0.39) MGAMGAASIMGAM2DHODH
SCHEMBL5202581 0.81 DHODH (0.41) MGAMGAASIMGAM2DHODH
SCHEMBL5202010 0.72 CBFB (0.58) MGAMGAASIMGAM2DHODH
SCHEMBL7471192 0.71 DHODH (0.45) MGAMGAASIMGAM2DHODH
SCHEMBL5201195 0.70 MGAM (0.72) MGAMGAASIMGAM2CBFB
SCHEMBL7474192 0.70 MGAM (0.38) MGAMGAASIMGAM2DHODH
SCHEMBL5202972 0.70 DHODH (0.49) MGAMGAASIMGAM2DHODH
SCHEMBL5202493 0.70 DHODH (0.50) DHODHPARP1
SCHEMBL7464047 0.69 MGAM (0.42) MGAMGAASIMGAM2DHODH
SCHEMBL7469492 0.69 MGAM (0.47) 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 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