SCHEMBL6653588

SCHEMBL6653588

N=C(Nc1ccccc1)Nc1nc2c(s1)Cc1cc(Cl)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.49
TP53 P04637 6/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
APAF1 O14727 4/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.45
TDP2 O95551 2/20 0.45
HSD17B10 Q99714 2/20 0.45
THRB P10828 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
BLM P54132 2/20 0.43

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
SCHEMBL6653595 0.78 MAPT (0.48) MAPTTP53LMNAALDH1A1KMT2A
SCHEMBL7652902 0.78 MAPT (0.53) MAPTTP53LMNAALDH1A1KMT2A
Bromide SCHEMBL7650921 0.77 MAPT (0.53) MAPTTP53LMNAALDH1A1KMT2A
SCHEMBL4958350 0.73 MAPT (0.68) MAPTTP53LMNAALDH1A1KMT2A
SCHEMBL6649263 0.72 MAPT (0.47) MAPTTP53LMNAALDH1A1KMT2A
SCHEMBL6648041 0.72 MAPT (0.50) MAPTTP53LMNAALDH1A1KMT2A
SCHEMBL8666248 0.69 MAPT (0.64) MAPTTP53LMNAALDH1A1KMT2A
SCHEMBL5573260 0.69 ADORA1 (0.67) ADORA1
SCHEMBL6191569 0.69 ADORA1 (0.50) MAPTTP53LMNAALDH1A1NPC1
Iodide SCHEMBL4960121 0.68 ADORA1 (0.69) ADORA1

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-1173176-B1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY AVENTIS PHARMA GMBH (DE) 2004-05-26 EP disclosed
US-6476059-B1 Use of polycyclic 2-aminothiazole systems for the treatment of obesity AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-05 US disclosed
EP-1173176-A1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY Aventis Pharma Deutschland GmbH (DE) 2002-01-23 EP disclosed
WO-2000051602-A1 UTILIZATION OF POLYCYCLIC 2-AMINO-THIAZOLE SYSTEMS IN THE PRODUCTION OF MEDICAMENTS FOR PROPHYLAXIS OR TREATMENT OF OBESITY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-09-08 WO disclosed