SCHEMBL7645762

SCHEMBL7645762

CC(C)c1cccc(NC(=S)NC2=CC[CH]C=C2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
FADS1 O60427 1/20 0.39
CA2 P00918 1/20 0.38
KMT2A Q03164 6/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
ALOX12 P18054 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 2/20 0.36
AKR1C3 P42330 1/20 0.35

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
SCHEMBL7899132 0.82 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL7639487 0.81 ALDH1A1 (0.52) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL7899185 0.81 MAPT (0.46) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL7908521 0.80 MAPT (0.56) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL7979005 0.80 ALDH1A1 (0.55) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL7638272 0.79 ALDH1A1 (0.44) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL7593147 0.78 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL7640046 0.78 MAPT (0.58) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL7868513 0.77 MEN1 (0.45) CA2KMT2AMAPTMEN1ALDH1A1
SCHEMBL7166721 0.76 MAPT (0.51) KMT2AMAPTMEN1ALDH1A1LMNA

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 7 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
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed