SCHEMBL7468437

SCHEMBL7468437

Nc1nc(-c2ccc(NCc3ccccc3)cc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.66
ALDH1A1 P00352 8/20 0.61
RAB9A P51151 7/20 0.61
NPC1 O15118 5/20 0.61
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
LMNA P02545 2/20 0.61
NFKB1 P19838 2/20 0.61
NFKB2 Q00653 2/20 0.61
RELA Q04206 2/20 0.61
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
SREBF2 Q12772 1/20 0.55
AR P10275 1/20 0.49
GFER P55789 1/20 0.49
MKNK1 Q9BUB5 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
SCHEMBL18074821 0.80 LTA4H (1.00) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL7470299 0.79 MGLL (0.62) LTA4HALDH1A1RAB9ANPC1MAPT
Hydrochloric Acid SCHEMBL7470042 0.78 MGLL (0.61) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL2907964 0.77 ALDH1A1 (1.00) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL13131237 0.77 LTA4H (0.77) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL44869 0.77 ALDH1A1 (1.00) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL7463271 0.77 RAB9A (0.60) LTA4HALDH1A1RAB9ANPC1MAPT
SCHEMBL29427805 0.76 NPC1 (0.70) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL18029565 0.76 NPC1 (0.70) ALDH1A1RAB9ANPC1MAPTMEN1
SCHEMBL1820346 0.75 ALDH1A1 (0.76) ALDH1A1RAB9ANPC1MAPTMEN1

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 3 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
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