SCHEMBL9170296

SCHEMBL9170296

CCc1cc(NCc2c(OC)cccc2OC)c(=O)[nH]c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
APAF1 O14727 1/20 0.44
RECQL P46063 1/20 0.44
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
CRHR2 Q13324 1/20 0.40
HIF1A Q16665 1/20 0.40
IDH1 O75874 2/20 0.39
EZH2 Q15910 3/20 0.38
EED O75530 1/20 0.38
RBBP4 Q09028 1/20 0.38
SUZ12 Q15022 1/20 0.38
AEBP2 Q6ZN18 1/20 0.38

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
SCHEMBL9846107 0.86 PDE3B (0.41) KDM4EMAPTAPAF1RECQLPDE3B
SCHEMBL9846383 0.86 PDE3B (0.43) KDM4EMAPTAPAF1RECQLPDE3B
SCHEMBL9846304 0.83 PDE3B (0.41) KDM4EMAPTAPAF1RECQLPDE3B
SCHEMBL27352785 0.82 PDE3B (0.43) KDM4EMAPTAPAF1RECQLPDE3B
SCHEMBL9278136 0.81 MAPT (0.51) KDM4EMAPTPDE3BPDE3AGAA
SCHEMBL27337641 0.81 POLB (0.49) KDM4EMAPTPDE3BPDE3AGAA
SCHEMBL9283645 0.81 MAPT (0.48) KDM4EMAPTAPAF1RECQLPDE3B
SCHEMBL9168694 0.81 PDE3B (0.42) KDM4EMAPTAPAF1RECQLPDE3B
SCHEMBL9164330 0.80 MAPT (0.41) KDM4EMAPTAPAF1RECQLPDE3B
SCHEMBL9846165 0.80 PDE3B (0.41) KDM4EMAPTAPAF1RECQLPDE3B

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 10 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-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-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