SCHEMBL7643242

SCHEMBL7643242

COc1cc(NC(=S)NC2=CC[CH]C=C2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 3/20 0.45
ALOX12 P18054 3/20 0.45
GAA P10253 1/20 0.43
QPCT Q16769 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALPL P05186 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
IDO1 P14902 1/20 0.39
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 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
SCHEMBL7908521 0.87 MAPT (0.56) ALDH1A1MAPTGAAQPCTHTT
SCHEMBL7162135 0.78 IDO1 (0.47) ALDH1A1MAPTHPGDLMNAMAOB
SCHEMBL7161939 0.77 ALDH1A1 (0.37) ALDH1A1MAPTHPGDLMNAALOX12
SCHEMBL7656137 0.75 MAPT (0.47) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL7979005 0.75 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL7165662 0.74 MAPT (0.45) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL6814042 0.73 ALDH1A1 (0.56) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL7162115 0.73 ALDH1A1 (0.39) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL7899132 0.72 KMT2A (0.56) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL7166721 0.72 MAPT (0.51) ALDH1A1MAPTHPGDLMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
US-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed
US-6403617-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMANHERPESVIRUSES-6 AND -7, AND KAPOSI HERPESVIRUS AMERICAN HOME PRODUCTS CORP. 2002-06-11 US disclosed
US-6380243-B1 INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES- 6 AND -7, AND KAPOSI HERPESVIRUS. AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 US disclosed
US-6271236-B1 PHENYL UREAS/THIOUREAS AS INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE ENZYME, USEFUL IN TREATING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, AND VARICELLA-ZOSTER VIRUS WYETH 2001-08-07 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed