SCHEMBL7593149

SCHEMBL7593149

CCC(C)Cc1cc(NC(=O)N(S)c2cc[c]cc2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 8/20 0.40
DCUN1D1 Q96GG9 8/20 0.40
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.35
TRPA1 O75762 6/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
MAPT P10636 1/20 0.33
TACR1 P25103 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL7645210 0.86 UBE2M (0.39) UBE2MDCUN1D1ALDH1A1TP53TRPA1
SCHEMBL7569363 0.82 P2RX1 (0.44) TP53MAPTTACR1
SCHEMBL6811870 0.81 TLR8 (0.48) UBE2MDCUN1D1ALDH1A1TP53TRPA1
SCHEMBL7868222 0.81 KDR (0.41) UBE2MDCUN1D1TP53TACR1
SCHEMBL7593142 0.79 MYC (0.42) ALDH1A1MAPTCYP1A2
SCHEMBL7569407 0.77 P2RY14 (0.37) UBE2MDCUN1D1ALDH1A1TP53TRPA1
SCHEMBL7075937 0.72 ALDH1A1 (0.43) UBE2MDCUN1D1ALDH1A1TRPA1MME
SCHEMBL6819508 0.72 TLR8 (0.50) ALDH1A1TP53TRPA1MAPTCYP1A2
SCHEMBL7719609 0.70 CCR2 (0.40) TACR1
SCHEMBL7645182 0.69 ALDH1A1 (0.44) ALDH1A1TRPA1MAPT

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