SCHEMBL7474859

SCHEMBL7474859

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.61
HDAC6 Q9UBN7 13/20 0.61
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
GAA P10253 1/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL7472989 0.82 ALDH1A1 (0.62) ALDH1A1LMNANPC1RAB9A
SCHEMBL14025827 0.80 KDM4E (0.59) HDAC1HDAC6CTSLCTSSHDAC3
SCHEMBL7144694 0.76 GAA (0.59) GAAALDH1A1LMNA
SCHEMBL11356992 0.75 HDAC1 (0.52) HDAC1HDAC6CTSLCTSSHDAC3
SCHEMBL2561294 0.75 KDM4E (0.67) GAAALDH1A1LMNARAB9A
SCHEMBL31248371 0.75 HDAC1 (0.52) HDAC1HDAC6CTSLCTSSGAA
SCHEMBL8012604 0.75 ALDH1A1 (0.59) HDAC1HDAC6CTSLCTSSHDAC3
SCHEMBL16589429 0.75 HDAC6 (0.72) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7474863 0.74 KMT2A (0.55) ALDH1A1LMNANPC1RAB9A
SCHEMBL22060038 0.73 EPHX2 (0.57) HDAC1HDAC6HDAC3HDAC4HDAC7

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