SCHEMBL7472746

SCHEMBL7472746

CC(C)(C)OC(=O)Nc1nc(-c2ccc(N)cc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
HDAC3 O15379 4/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
NPC1 O15118 3/20 0.50
HDAC8 Q9BY41 2/20 0.50
MAPT P10636 2/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ABL1 P00519 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
PKM P14618 1/20 0.50
ALOX5 P09917 1/20 0.49
PI4KB Q9UBF8 1/20 0.48
GSTO1 P78417 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SREBF2 Q12772 1/20 0.47

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
SCHEMBL17548274 0.87 KMT2A (0.55) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL8318198 0.85 HDAC3 (0.50) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL10964204 0.82 MAPT (0.58) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL31311281 0.81 MEN1 (0.58) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL7473414 0.81 HDAC3 (0.52) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL15688730 0.81 ABL1 (0.74) RAB9ANPC1MAPTROCK2ROCK1
SCHEMBL18618793 0.81 HDAC3 (0.56) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL7125440 0.81 SREBF2 (0.58) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL8321552 0.80 MAPT (0.66) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL8293262 0.80 HDAC3 (0.49) RAB9AHDAC3HDAC1HDAC2HDAC10

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 9 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
US-5925762-A REACTING PRIMARY PHENYL CARBAMATE OR THIOCARBAMATE WITH AMMONIA, A PRIMARY OR SECONDARY AMINE IN DIMETHYLSULFOXIDE BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-07-20 US disclosed
CN-1207094-A Phenyl thiazole derivatives with anti herpes virus properties BOEHRINGER INGELHEIM PHARMA (US) 1999-02-03 CN 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