SCHEMBL6648041

SCHEMBL6648041

O=CNc1nc2c(s1)Cc1cc(Cl)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.50
TP53 P04637 6/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TDP2 O95551 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC9 Q9UKV0 4/20 0.45
HDAC5 Q9UQL6 4/20 0.45

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
SCHEMBL6649263 0.82 MAPT (0.47) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL7652902 0.77 MAPT (0.53) MAPTTP53LMNASMN1; SMN2ALDH1A1
Bromide SCHEMBL7650921 0.76 MAPT (0.53) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL4958350 0.75 MAPT (0.68) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL5573260 0.75 ADORA1 (0.67) ADORA1FBP1
SCHEMBL6191569 0.75 ADORA1 (0.50) MAPTTP53LMNASMN1; SMN2ALDH1A1
Iodide SCHEMBL4960121 0.73 ADORA1 (0.69) ADORA1FBP1
Hydrochloric Acid SCHEMBL7895436 0.73 ADORA1 (0.49) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL6653588 0.72 MAPT (0.49) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL6190790 0.71 ADORA1 (0.41) MAPTTP53LMNAADORA1FBP1

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 6 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
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO 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