SCHEMBL7466321

SCHEMBL7466321

COc1c(Cc2ccccc2)ccc2[nH]c(-c3c(F)cccc3F)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
DHODH Q02127 11/20 0.38
GRIN2B Q13224 1/20 0.36
CARM1 Q86X55 1/20 0.35
PTGES O14684 1/20 0.34
JAK2 O60674 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
CBFB Q13951 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ESR1 P03372 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
SCHEMBL7474192 0.88 MGAM (0.38) MGAMGAASIMGAM2DHODH
SCHEMBL7089046 0.84 MGAM (0.47) MGAMGAASIMGAM2DHODH
SCHEMBL7465458 0.81 MGAM (0.48) MGAMGAASIMGAM2DHODH
SCHEMBL7473522 0.78 MGAM (0.38) MGAMGAASIMGAM2DHODH
SCHEMBL7466180 0.73 HRH4 (0.46) MGAMGAASIMGAM2DHODH
SCHEMBL7469303 0.72 MGAM (0.43) MGAMGAASIMGAM2DHODH
SCHEMBL5202010 0.72 CBFB (0.58) MGAMGAASIMGAM2DHODH
SCHEMBL7463314 0.71 GRIN2B (0.41) MGAMGAASIMGAM2DHODH
SCHEMBL7460756 0.71 GRIN2B (0.41) MGAMGAASIMGAM2DHODH
SCHEMBL7463911 0.70 MGAM (0.41) 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