SCHEMBL7128653

SCHEMBL7128653

COc1cccc(F)c1-c1nc2c(N)cccc2n1Cc1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 15/20 0.40
TLR8 Q9NR97 2/20 0.40
RPS6KA2 Q15349 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAP4K1 Q92918 1/20 0.37

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
SCHEMBL5201972 0.88 KCNK13 (0.42) TLR8
SCHEMBL5201125 0.87 TLR8 (0.43) GNRHRTLR8CYP3A4MAPK1SMN1; SMN2
SCHEMBL5201720 0.82 DCTPP1 (0.51) GNRHRCYP3A4
SCHEMBL5202196 0.79 ADORA2A (0.39) GNRHR
SCHEMBL5203544 0.76 TLR8 (0.41) GNRHRTLR8MAPK1SMN1; SMN2
SCHEMBL5203923 0.76 MAPT (0.39) GNRHRMAPK1SMN1; SMN2
SCHEMBL5204121 0.75 TP53 (0.44) TLR8SMN1; SMN2
SCHEMBL5202583 0.73 TP53 (0.39) TLR8MAPK1SMN1; SMN2
SCHEMBL5204113 0.73 TLR8 (0.43) TLR8MAPK1SMN1; SMN2
SCHEMBL5207484 0.73 TLR8 (0.40) TLR8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0963371-B1 SUBSTITUTED BENZIMIDAZOLES AS NON-NUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE US GOV HEALTH & HUMAN SERV (US) 2003-05-02 EP 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