SCHEMBL7639487

SCHEMBL7639487

CC(=O)Nc1cccc(NC(=S)NC2=CC[CH]C=C2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 3/20 0.49
NR4A1 P22736 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.41

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 0.83 KMT2A (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7868513 0.82 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7899185 0.82 MAPT (0.46) ALDH1A1MAPTKDM4EMAPK1SMN1; SMN2
SCHEMBL7908521 0.81 MAPT (0.56) ALDH1A1MAPTL3MBTL1SMN1; SMN2POLB
SCHEMBL7645762 0.81 GRIN2D (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7642171 0.81 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2POLB
SCHEMBL7979005 0.81 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL7638272 0.80 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EL3MBTL1MAPK1
SCHEMBL7640046 0.79 MAPT (0.58) ALDH1A1MAPTKDM4EL3MBTL1SMN1; SMN2
SCHEMBL7593147 0.79 MAPT (0.60) ALDH1A1MAPTL3MBTL1MAPK1SMN1; SMN2

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-6407123-B1 VIRICIDES FOR TREATMENT OF HUMAN CYTOMEGALO, EPSTEIN-BARR, VARICELLA-ZOSTER AND KAPOSI*S HERPES VIRAL INFECTIONS AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 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