SCHEMBL7472989

SCHEMBL7472989

CC(=O)c1ccc(NC(=O)CN(Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
ACHE P22303 2/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
BCHE P06276 1/20 0.51
LTA4H P09960 1/20 0.51
LMNA P02545 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
SCHEMBL8012604 0.92 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EACHENPC1
SCHEMBL7476835 0.86 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EACHENPC1
SCHEMBL7468687 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EACHENPC1
SCHEMBL7474859 0.82 HDAC1 (0.61) ALDH1A1NPC1RAB9ALMNA
SCHEMBL10201372 0.79 RAB9A (0.72) ALDH1A1MAPTACHENPC1RAB9A
SCHEMBL7473451 0.78 MEN1 (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8265643 0.77 TRPV1 (0.71) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8016046 0.76 CTSS (0.52) ALDH1A1MAPTKDM4EACHENPSR1
SCHEMBL10891102 0.76 HDAC6 (0.71) ALDH1A1NPSR1
SCHEMBL7471110 0.76 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ENPC1RAB9A

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-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP disclosed
US-6458959-B1 VIRICIDES AND ENZYME INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-10-01 US disclosed
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 US 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