SCHEMBL7574473

SCHEMBL7574473

CCCCNc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.49
TRPA1 O75762 7/20 0.47
CYP1A2 P05177 2/20 0.47
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RHOC P08134 2/20 0.43
RHOA P61586 2/20 0.43
AR P10275 1/20 0.42
MAPT P10636 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CNR2 P34972 1/20 0.41
P2RX1 P51575 1/20 0.41
XPO1 O14980 1/20 0.40

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
SCHEMBL6231339 0.94 TRPA1 (0.46) RIPK1TRPA1CYP1A2LMNAMEN1
SCHEMBL14015102 0.89 RAPGEF4 (0.45) RIPK1TRPA1CYP1A2LMNAMEN1
SCHEMBL6231746 0.88 TRPA1 (0.56) TRPA1CYP1A2LMNAMEN1KMT2A
SCHEMBL7685789 0.87 RHOC (0.51) TRPA1CYP1A2LMNARHOCRHOA
SCHEMBL5119105 0.82 TRPA1 (0.53) TRPA1CYP1A2RHOCRHOAMAPT
SCHEMBL1419865 0.82 LMNA (0.56) CYP1A2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL28868452 0.81 TRPA1 (0.49) RIPK1TRPA1CYP1A2LMNAMEN1
SCHEMBL4966922 0.81 TRPA1 (0.53) TRPA1CYP1A2LMNAMAPTRAPGEF4
SCHEMBL5121272 0.80 RIPK1 (0.44) RIPK1TRPA1CYP1A2LMNAMEN1
SCHEMBL8178051 0.80 MEN1 (0.61) RIPK1TRPA1CYP1A2LMNAMEN1

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 8 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-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING 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
EP-1144397-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-17 EP disclosed
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 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
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO 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