SCHEMBL6814899

SCHEMBL6814899

O=C(Nc1ccc(NC(=S)NCCc2ccccc2F)cc1)c1csnn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.56
MEN1 O00255 7/20 0.56
KMT2A Q03164 7/20 0.56
ALDH1A1 P00352 6/20 0.56
LMNA P02545 4/20 0.56
GAA P10253 1/20 0.56
CNR1 P21554 1/20 0.51
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
HIF1A Q16665 4/20 0.45
HDAC1 Q13547 1/20 0.44
ALOX12 P18054 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL6819225 0.89 MAPT (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814963 0.88 MAPT (0.54) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815611 0.85 MAPT (0.59) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814985 0.85 MAPT (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815912 0.84 MAPT (0.60) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6815657 0.84 MAPT (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814990 0.84 MAPT (0.60) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814757 0.83 MAPT (0.48) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6810885 0.83 MAPT (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL6814870 0.82 SMN1; SMN2 (0.51) 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 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