SCHEMBL6814993

SCHEMBL6814993

O=C(Nc1ccc(NC(=S)NCc2ccc(F)cc2)cc1)c1csnn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAOB P27338 4/20 0.57
HDAC1 Q13547 1/20 0.53
LMNA P02545 4/20 0.53
ALDH1A1 P00352 7/20 0.53
MAPT P10636 7/20 0.53
MAOA P21397 3/20 0.53
ATM Q13315 1/20 0.52
POLB P06746 2/20 0.51
TP53 P04637 2/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL6819280 0.90 LMNA (0.52) MEN1KMT2AGAASMN1; SMN2MAOB
SCHEMBL6816530 0.90 MAPT (0.59) MEN1KMT2AGAASMN1; SMN2LMNA
SCHEMBL6816140 0.90 MAPT (0.63) MEN1KMT2AGAASMN1; SMN2MAOB
SCHEMBL6814990 0.89 MAPT (0.60) MEN1KMT2AGAASMN1; SMN2MAOB
SCHEMBL6815637 0.89 LMNA (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL6819815 0.88 MAPT (0.50) MEN1KMT2AGAASMN1; SMN2HDAC1
SCHEMBL6816400 0.88 HDAC1 (0.56) MEN1KMT2AGAASMN1; SMN2HDAC1
SCHEMBL6815834 0.88 LMNA (0.63) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL6819712 0.87 ALDH1A1 (0.60) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL6811359 0.87 THRB (0.55) MEN1KMT2AGAASMN1; SMN2LMNA

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 2 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