SCHEMBL7744018

SCHEMBL7744018

O=C(Nc1ccc(NC(=S)NC(c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1csnn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.59
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
ALDH1A1 P00352 7/20 0.59
TP53 P04637 5/20 0.52
LMNA P02545 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 2/20 0.52
XBP1 P17861 1/20 0.52
S1PR3 Q99500 1/20 0.52
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
ALPL P05186 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ULK1 O75385 1/20 0.42
THRB P10828 1/20 0.42
CNR1 P21554 1/20 0.41
TACR1 P25103 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
SCHEMBL7745937 0.86 MAPT (0.61) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7744016 0.86 MAPT (0.61) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7743925 0.84 MAPT (0.58) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7979004 0.83 MAPT (0.71) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7743487 0.82 MAPT (0.56) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7743456 0.81 MAPT (0.54) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7745917 0.79 MAPT (0.64) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6815539 0.78 ALDH1A1 (0.64) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6814080 0.78 MAPT (0.63) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6815615 0.77 ALDH1A1 (0.81) MAPTMEN1KMT2AALDH1A1LMNA

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