SCHEMBL7466730

SCHEMBL7466730

CN(C(=O)CNCc1ccccc1)c1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.50
RAB9A P51151 7/20 0.46
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 6/20 0.46
NPC1 O15118 5/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPIB P23284 1/20 0.45
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
HRH2 P25021 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
CYP3A4 P08684 1/20 0.43
ROCK2 O75116 2/20 0.41

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
SCHEMBL7470299 0.79 MGLL (0.62) LTA4HRAB9AKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL7470042 0.78 MGLL (0.61) LTA4HRAB9AKMT2AALDH1A1MEN1
SCHEMBL7463271 0.72 RAB9A (0.60) LTA4HRAB9AKMT2AALDH1A1MEN1
SCHEMBL7468437 0.71 LTA4H (0.66) LTA4HRAB9AKMT2AALDH1A1MEN1
SCHEMBL7468312 0.70 KDM4E (0.51) LTA4HRAB9AKMT2AALDH1A1MEN1
SCHEMBL5702154 0.69 ALDH1A1 (0.56) LTA4HRAB9AKMT2AALDH1A1MEN1
SCHEMBL14026892 0.69 ELOVL1 (0.72) RAB9AKMT2AALDH1A1MEN1NPC1
SCHEMBL18074821 0.68 LTA4H (1.00) LTA4HRAB9AKMT2AALDH1A1MEN1
SCHEMBL27511900 0.68 MEN1 (0.56) LTA4HRAB9AKMT2AALDH1A1MEN1
SCHEMBL1867796 0.68 CYP2D6 (0.51) RAB9AKMT2AALDH1A1MEN1NPC1

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