SCHEMBL7743522

SCHEMBL7743522

CCC(C)Cc1cc(NC(=S)Nc2ccc(N)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
KDM4E B2RXH2 2/20 0.43
TEK Q02763 2/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MYC P01106 1/20 0.42
MAX P61244 1/20 0.42
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPY1R P25929 1/20 0.39
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS1 P23219 2/20 0.38
PSMB5 P28074 1/20 0.38
CDK1 P06493 1/20 0.37

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
SCHEMBL7569409 0.90 MAPT (0.45) MAPTKDM4ETEKMEN1KMT2A
SCHEMBL7645182 0.87 ALDH1A1 (0.44) MAPTKDM4ETEKMEN1KMT2A
SCHEMBL7593142 0.86 MYC (0.42) MAPTKDM4ETEKMEN1KMT2A
SCHEMBL6811866 0.81 TLR8 (0.50) MAPTKDM4EMEN1KMT2AMYC
SCHEMBL6815679 0.80 MAPT (0.61) MAPTKDM4ETEKMEN1KMT2A
SCHEMBL6811101 0.79 MAPT (0.56) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7665848 0.77 RAB9A (0.41) MAPTKDM4ETEKMEN1KMT2A
SCHEMBL7645151 0.76 GAA (0.44) MAPTKDM4ETEKMEN1KMT2A
SCHEMBL7569403 0.76 ALDH1A1 (0.47) MAPTKDM4ETEKMEN1KMT2A
SCHEMBL6811183 0.74 HTR2A (0.42) MAPTMEN1KMT2ALMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP claimed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US claimed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP claimed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed