SCHEMBL6819581

SCHEMBL6819581

O=C(Nc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1)c1csnn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.61
LMNA P02545 9/20 0.61
ALOX12 P18054 8/20 0.61
HTT P42858 8/20 0.61
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 9/20 0.58
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
ALPL P05186 3/20 0.52
ALPI P09923 1/20 0.52

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
SCHEMBL6815912 0.84 MAPT (0.60) MAPTLMNAALOX12HTTMEN1
SCHEMBL6814722 0.84 MAPT (0.64) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL6815382 0.82 MAPT (0.61) MAPTLMNAHTTMEN1KMT2A
SCHEMBL6814682 0.82 ALDH1A1 (0.79) MAPTLMNAMEN1KMT2ACYP3A4
SCHEMBL6816140 0.81 MAPT (0.63) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL6816662 0.81 MAPT (0.57) MAPTLMNAHTTMEN1KMT2A
SCHEMBL6816001 0.81 MAPT (0.57) MAPTLMNAALOX12HTTMEN1
SCHEMBL6811687 0.81 MAPT (0.57) MAPTLMNAALOX12MEN1KMT2A
SCHEMBL6811443 0.80 MAPT (0.58) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL6815539 0.80 ALDH1A1 (0.64) MAPTLMNAHTTMEN1KMT2A

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