SCHEMBL7782583

SCHEMBL7782583

CON=C(C)c1ccc(Cl)c(F)c1.CON=CCc1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
SLC6A4 P31645 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
PTBP1 P26599 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
NPC1 O15118 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL7570658 0.93 RAB9A (0.34) RAB9ASLC6A4MEN1KMT2APOLB
SCHEMBL7844834 0.91 GCGR (0.33) RAB9ASLC6A4SMN1; SMN2LMNAPTBP1
SCHEMBL7868306 0.83
SCHEMBL6811367 0.79 SLC6A4 (0.45) RAB9ASLC6A4MEN1KMT2APOLB
SCHEMBL6811369 0.79 SLC6A4 (0.45) RAB9ASLC6A4MEN1KMT2APOLB
SCHEMBL7782578 0.79 RAB9A (0.45) RAB9ASLC6A4MEN1KMT2APOLB
SCHEMBL7868617 0.77 S1PR1 (0.34) RAB9ASLC6A4MEN1KMT2ANPC1
SCHEMBL7844833 0.76 RAB9A (0.42) RAB9ASLC6A4MEN1KMT2APOLB
SCHEMBL7784388 0.74 NPFFR2 (0.37) MEN1KMT2APOLBLMNANPC1
SCHEMBL7570657 0.72 RAB9A (0.39) RAB9ASLC6A4MEN1KMT2APOLB

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
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137633-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed