SCHEMBL6815670

SCHEMBL6815670

O=C(Nc1ccc(NC(=S)NCCc2ccc(C(F)(F)F)cc2)cc1)c1csnn1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
ALDH1A1 P00352 6/20 0.68
CNR1 P21554 1/20 0.51
CDK1 P06493 1/20 0.49
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL6816271 0.91 MAPT (0.61) MAPTMEN1KMT2AALDH1A1CNR1
SCHEMBL6815254 0.89 MEN1 (0.61) MAPTMEN1KMT2AALDH1A1CNR1
SCHEMBL6814990 0.89 MAPT (0.60) MAPTMEN1KMT2AALDH1A1CNR1
SCHEMBL6815947 0.88 MAPT (0.57) MAPTMEN1KMT2AALDH1A1CNR1
SCHEMBL6816115 0.87 MAPT (0.60) MAPTMEN1KMT2AALDH1A1CNR1
SCHEMBL6815912 0.87 MAPT (0.60) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6819639 0.86 LMNA (0.54) MAPTMEN1KMT2AALDH1A1CNR1
SCHEMBL6816229 0.86 MAPT (0.59) MAPTMEN1KMT2AALDH1A1CNR1
SCHEMBL6815867 0.86 MAPT (0.55) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815611 0.85 MAPT (0.59) MAPTMEN1KMT2AALDH1A1CNR1

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