SCHEMBL9168366

SCHEMBL9168366

CCc1cc(NCc2nc3cccc(Cl)c3o2)c(=O)[nH]c1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.37
MTNR1B P49286 12/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 1/20 0.35
PDE7B Q9NP56 3/20 0.34
ELANE P08246 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33

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
SCHEMBL9170726 0.89 PIK3CD (0.42) MTNR1AMTNR1BELANEPDE3BPDE3A
SCHEMBL9163656 0.88 PIK3CD (0.41) MTNR1AMTNR1BPARP1ELANE
L-697661 SCHEMBL29456987 0.85 FABP4 (0.34) HPGD
L-697661 SCHEMBL599639 0.85 FABP4 (0.34) HPGD
SCHEMBL9166348 0.83 IDH1 (0.37) PARP1
SCHEMBL9281450 0.83 RAB9A (0.41) SMN1; SMN2ELANE
SCHEMBL9171193 0.82 FABP4 (0.34)
SCHEMBL29456981 0.78 KMT2A (0.35) HPGDSMN1; SMN2ELANE
SCHEMBL6367001 0.78 KMT2A (0.35) HPGDSMN1; SMN2ELANE
SCHEMBL9846239 0.77 MEN1 (0.32) HPGDPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650362-A1 ANTIVIRAL COMBINATIONS GLAXO GROUP LIMITED (GB) 1995-05-03 EP claimed
WO-1994002154-A1 ANTIVIRAL COMBINATIONS GLAXO GROUP LIMITED (GB) 1994-02-03 WO claimed
EP-0577243-A2 Recombinant human HIV-neutralizing monoclonal antibodies for prevention and treatment of HIV infection MERCK & CO. INC. (US) 1994-01-05 EP claimed
WO-1993019785-A1 RECOMBINANT HUMAN HIV-NEUTRALIZING MONOCLONAL ANTIBODIES FOR PREVENTION AND TREATMENT OF HIV INFECTION MERCK & CO., INC. (US) 1993-10-14 WO claimed
EP-0484071-A2 Synergism of HIV reverse transcriptase inhibitors MERCK & CO. INC. (US) 1992-05-06 EP claimed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP claimed
EP-0666744-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1995-08-16 EP disclosed
EP-0650362-A1 ANTIVIRAL COMBINATIONS GLAXO GROUP LIMITED (GB) 1995-05-03 EP disclosed
WO-1994009781-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1994-05-11 WO disclosed
WO-1994002154-A1 ANTIVIRAL COMBINATIONS GLAXO GROUP LIMITED (GB) 1994-02-03 WO disclosed
EP-0577243-A2 Recombinant human HIV-neutralizing monoclonal antibodies for prevention and treatment of HIV infection MERCK & CO. INC. (US) 1994-01-05 EP disclosed
WO-1993019785-A1 RECOMBINANT HUMAN HIV-NEUTRALIZING MONOCLONAL ANTIBODIES FOR PREVENTION AND TREATMENT OF HIV INFECTION MERCK & CO., INC. (US) 1993-10-14 WO disclosed
EP-0484071-A2 Synergism of HIV reverse transcriptase inhibitors MERCK & CO. INC. (US) 1992-05-06 EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed