SCHEMBL7663138

SCHEMBL7663138

CC(O)c1ccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 8/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
ALDH1A1 P00352 7/20 0.57
MAPT P10636 7/20 0.57
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALOX12 P18054 2/20 0.57
HPGD P15428 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
ALOX15 P16050 1/20 0.57
AHR P35869 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 2/20 0.54
LMNA P02545 4/20 0.53
KDM4E B2RXH2 3/20 0.53

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
SCHEMBL7161415 0.84 MAPK1 (0.58) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7778713 0.82 RAB9A (0.67) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7848400 0.81 RAB9A (0.66) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6811107 0.80 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1NPSR1
SCHEMBL7848327 0.78 RAB9A (0.69) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL7165787 0.78 ALDH1A1 (0.62) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL6814972 0.78 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL6814915 0.77 ALDH1A1 (0.60) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7165968 0.77 MEN1 (0.76) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL7662848 0.76 RAB9A (0.81) RAB9ANPC1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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