SCHEMBL7467074

SCHEMBL7467074

CCCCN(CCCC)C(=O)C(=O)Nc1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.65
ALDH1A1 P00352 8/20 0.65
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
MAPT P10636 5/20 0.65
GAA P10253 4/20 0.65
POLB P06746 3/20 0.65
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 8/20 0.47
KDM4E B2RXH2 2/20 0.44
GFER P55789 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTA4H P09960 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
SREBF2 Q12772 1/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40

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
SCHEMBL7478830 0.88 RAB9A (0.67) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL14825155 0.76 RAB9A (0.75) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL8146339 0.76 ALDH1A1 (0.51) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL126387 0.75 KMT2A (0.66) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL10087445 0.70 LTA4H (0.60) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL7125440 0.69 SREBF2 (0.58) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL7465015 0.68 RAB9A (0.56) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL18114095 0.68 MEN1 (0.74) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL172198 0.66 LTA4H (0.54) RAB9AALDH1A1KMT2AMEN1MAPT
SCHEMBL11887625 0.66 RAB9A (0.60) RAB9AALDH1A1KMT2AMEN1MAPT

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 5 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