SCHEMBL7470034

SCHEMBL7470034

NC(=O)COc1ccccc1-c1nccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.53
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
HTT P42858 3/20 0.48
KDM4E B2RXH2 1/20 0.48
SLC6A9 P48067 1/20 0.43
KCNN4 O15554 1/20 0.42
TRPM4 Q8TD43 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PDPK1 O15530 1/20 0.40
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7475116 0.87 PTGDR2 (0.68) PTGDR2ADRA1DADRA1AADRA1BKDM4E
SCHEMBL4466164 0.82 ADRA1D (0.47) PTGDR2ADRA1DADRA1AADRA1BSLC6A9
SCHEMBL28304414 0.80 ADRA1A (0.57) PTGDR2ADRA1DADRA1AADRA1BSLC6A9
SCHEMBL28579044 0.76 ADRA1A (0.55) PTGDR2ADRA1DADRA1AADRA1BSLC6A9
SCHEMBL9958680 0.76 ADRA1D (0.44) PTGDR2ADRA1DADRA1AADRA1BKDM4E
SCHEMBL8040223 0.75 ADRA1D (0.61) PTGDR2ADRA1DADRA1AADRA1BPDPK1
SCHEMBL995828 0.74 CSNK1A1 (0.50) PTGDR2KDM4ENPC1RAB9AHPGD
SCHEMBL30517722 0.74 CSNK1A1 (0.50) PTGDR2KDM4ENPC1RAB9AHPGD
SCHEMBL5362778 0.74 HTT (0.71) HTTKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7476605 0.74 LOXL2 (0.53) PTGDR2NPC1RAB9ATP53HPGD

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-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed