SCHEMBL7464867

SCHEMBL7464867

Cc1ccccc1-c1nc2c(Cc3c(F)cccc3F)cccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 10/20 0.64
▸ GAA P10253 10/20 0.64
▸ SI P14410 10/20 0.64
▸ MGAM2 Q2M2H8 10/20 0.64
▸ NPC1 O15118 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PARP1 P09874 2/20 0.45
▸ PKM P14618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ESR1 P03372 1/20 0.41
▸ CBFB Q13951 1/20 0.41
▸ DHODH Q02127 3/20 0.40
▸ PTGES O14684 1/20 0.40

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
SCHEMBL7461763 0.82 GRIN2B (0.54) MGAMGAASIMGAM2NPC1
SCHEMBL7471192 0.81 DHODH (0.45) MGAMGAASIMGAM2NPC1
SCHEMBL7468623 0.80 PARP1 (0.43) MGAMGAASIMGAM2NPC1
SCHEMBL6511197 0.78 MGAM (1.00) MGAMGAASIMGAM2NPC1
SCHEMBL7469947 0.76 MGAM (0.49) MGAMGAASIMGAM2NPC1
SCHEMBL7468191 0.76 NPC1 (0.43) MGAMGAASIMGAM2NPC1
SCHEMBL7465458 0.74 MGAM (0.48) MGAMGAASIMGAM2PARP1
SCHEMBL8816910 0.73 MGAM (0.60) MGAMGAASIMGAM2NPC1
SCHEMBL29056537 0.73 MGAM (0.60) MGAMGAASIMGAM2NPC1
SCHEMBL7469303 0.72 MGAM (0.43) MGAMGAASIMGAM2CBFB

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
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