SCHEMBL7570658

SCHEMBL7570658

CON=C(C)c1ccc(Cl)c(F)c1.CON=CCc1cc(F)ccc1F.CON=CCc1ccc(F)cc1Br

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
SLC6A4 P31645 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2A P28223 1/20 0.30
KCNH2 Q12809 1/20 0.30
LMNA P02545 1/20 0.30
PTBP1 P26599 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7782583 0.93 RAB9A (0.39) RAB9ASLC6A4MEN1POLBKMT2A
SCHEMBL7868306 0.90
SCHEMBL7844834 0.85 GCGR (0.33) RAB9ASLC6A4HTR2AKCNH2LMNA
SCHEMBL7717493 0.77 KDM4E (0.39) HTR2A
SCHEMBL7570657 0.76 RAB9A (0.39) RAB9ASLC6A4MEN1POLBKMT2A
SCHEMBL6811369 0.74 SLC6A4 (0.45) RAB9ASLC6A4MEN1POLBKMT2A
SCHEMBL6811367 0.74 SLC6A4 (0.45) RAB9ASLC6A4MEN1POLBKMT2A
SCHEMBL7868617 0.74 S1PR1 (0.34) RAB9ASLC6A4MEN1KMT2A
SCHEMBL7782578 0.73 RAB9A (0.45) RAB9ASLC6A4MEN1POLBKMT2A
SCHEMBL7575131 0.73 AKR1B1 (0.36) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144399-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
EP-1144399-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed