SCHEMBL7783276

SCHEMBL7783276

O=C(Nc1ccc(NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1)c1cocn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
F2R P25116 1/20 0.47
KDR P35968 2/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
IDO1 P14902 1/20 0.42
BACE1 P56817 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 2/20 0.40
P2RX1 P51575 1/20 0.40
P2RX4 Q99571 1/20 0.40
P2RX7 Q99572 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7945255 0.83 NFKB1 (0.49) F2RKDRMEN1KMT2AMAPT
SCHEMBL18027796 0.76 RAB9A (0.56) F2RKDRMEN1KMT2AMAPT
SCHEMBL18993441 0.76 F2R (0.51) F2RMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL4781928 0.76 SMN1; SMN2 (0.59) F2RMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL893100 0.75 F2R (0.64) F2RKDRKMT2ASMN1; SMN2ALDH1A1
SCHEMBL6810924 0.74 THRB (0.65) MAOBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16692739 0.72 F2R (0.48) F2RSMN1; SMN2ALDH1A1HTTIDO1
SCHEMBL6815207 0.72 MAOB (0.65) MAOBMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7848327 0.72 RAB9A (0.69) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL15886276 0.72 BACE1 (0.54) F2RMEN1KMT2AMAPTSMN1; SMN2

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-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 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
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed