SCHEMBL7470123

SCHEMBL7470123

CC(=O)c1ccc(NC(=O)CCNCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 4/20 0.56
RAB9A P51151 2/20 0.56
TAAR1 Q96RJ0 1/20 0.56
ALDH1A1 P00352 4/20 0.55
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 1/20 0.49
LTA4H P09960 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL27510843 0.88 HDAC1 (0.70) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL8265643 0.80 TRPV1 (0.71) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10201372 0.79 RAB9A (0.72) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL17031945 0.78 ALDH1A1 (0.63) MAPTSMN1; SMN2ALDH1A1HDAC1MEN1
SCHEMBL12210902 0.77 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL24233107 0.77 HSD17B10 (0.57) ALDH1A1KMT2A
SCHEMBL27876259 0.77 HTT (0.64) MAPTTAAR1ALDH1A1GAAKMT2A
SCHEMBL7476835 0.76 ALDH1A1 (0.62) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL18602214 0.76 MAPT (0.68) MAPTSMN1; SMN2NPC1RAB9ATAAR1
SCHEMBL5604560 0.76 CA1 (0.71) MAPTSMN1; SMN2NPC1RAB9ATAAR1

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 7 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-6348477-B1 SUBSTITUTED PHENYL THIAZOLE DERIVATIVES AS VIRICIDES BOEHRINGER INGELHEIM(CANADA) LTD. (CA) 2002-02-19 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