SCHEMBL7866871

SCHEMBL7866871

CN(C)CCCc1cc(NC(=S)Nc2cc[c]cc2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TACR1 P25103 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SIRT2 Q8IXJ6 5/20 0.37
SIRT1 Q96EB6 5/20 0.37
HTT P42858 1/20 0.37
SIRT3 Q9NTG7 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CCR2 P41597 1/20 0.36

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
SCHEMBL7645151 0.87 GAA (0.44) GAALMNAMYCMAXKDR
SCHEMBL7645143 0.83 KDR (0.45) GAALMNAKDRTEKKDM4E
SCHEMBL7868222 0.81 KDR (0.41) GAALMNAKDRTEKKDM4E
SCHEMBL7569356 0.79 MAPT (0.57) GAAMYCMAXTEKMAPT
SCHEMBL6814745 0.78 MAPT (0.55) GAALMNAKDRTEKMAPT
SCHEMBL7593142 0.76 MYC (0.42) GAALMNAMYCMAXTEK
SCHEMBL7665848 0.76 RAB9A (0.41) GAALMNAMYCMAXKDR
SCHEMBL22028466 0.73 TACR1 (0.52) LMNATACR1CCR2
SCHEMBL7665842 0.73 MCHR1 (0.44) LMNAMYCMAXKDRTEK
SCHEMBL15077165 0.71 KCNH2 (0.51) LMNATACR1CCR2

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 2 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
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