SCHEMBL6815480

SCHEMBL6815480

O=C(Nc1ccc(NC(=S)NCCOc2cc(C(F)(F)F)ccc2F)cc1)c1csnn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 4/20 0.56
TP53 P04637 4/20 0.43
LMNA P02545 4/20 0.42
THRB P10828 2/20 0.41
CDK1 P06493 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
EPHX2 P34913 1/20 0.39
GRM4 Q14833 2/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6814870 0.86 SMN1; SMN2 (0.51) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6815611 0.85 MAPT (0.59) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6815597 0.83 MAPT (0.61) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6814231 0.82 MAPT (0.56) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6815670 0.80 MAPT (0.68) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL7573041 0.80 CDK1 (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814894 0.80 SMN1; SMN2 (0.52) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6816416 0.80 MAPT (0.51) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6811160 0.79 MAPT (0.59) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL6813903 0.79 MAPT (0.48) MAPTMEN1KMT2AALDH1A1TP53

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 5 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-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US 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