SCHEMBL6819740

SCHEMBL6819740

O=C(Nc1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1)c1csnn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
MAPT P10636 6/20 0.60
ALDH1A1 P00352 5/20 0.60
THRB P10828 1/20 0.53
LMNA P02545 4/20 0.53
TP53 P04637 3/20 0.53
KDR P35968 4/20 0.52
BRAF P15056 2/20 0.52
FLT3 P36888 2/20 0.52
KIT P10721 1/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TMPRSS4 Q9NRS4 1/20 0.51

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
SCHEMBL6814196 0.91 MAPT (0.60) GRM4MEN1KMT2AMAPTALDH1A1
SCHEMBL6814301 0.90 MEN1 (0.53) GRM4MEN1KMT2AMAPTALDH1A1
SCHEMBL6819267 0.89 GRM4 (0.61) GRM4MEN1KMT2AMAPTALDH1A1
SCHEMBL6810818 0.88 MAPT (0.59) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL6811361 0.88 MAPT (0.59) GRM4MEN1KMT2AMAPTALDH1A1
SCHEMBL6815872 0.86 TP53 (0.62) GRM4MEN1KMT2AMAPTALDH1A1
SCHEMBL7178922 0.84 GRM4 (0.86) GRM4MEN1KMT2AMAPTALDH1A1
SCHEMBL6815615 0.83 ALDH1A1 (0.81) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL7979004 0.83 MAPT (0.71) MEN1KMT2AMAPTALDH1A1THRB
SCHEMBL6815720 0.83 THRB (0.60) MEN1KMT2AMAPTALDH1A1THRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed