SCHEMBL4622130

SCHEMBL4622130

CSc1cccc(N(C)C(=N)Nc2cccc(SC(F)CCl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 7/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6719786 0.85 RAB9A (0.54) GAARAB9AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8500574 0.84 RAB9A (0.52) GAARAB9AMAPTMEN1KMT2A
SCHEMBL6721291 0.78 SIGMAR1 (0.52) GAARAB9AMAPTMEN1KMT2A
SCHEMBL8181403 0.78 SIGMAR1 (0.55) GAARAB9AMAPTMEN1KMT2A
SCHEMBL6724169 0.77 GAA (0.48) GAARAB9AMAPTMEN1KMT2A
SCHEMBL6720929 0.77 SMN1; SMN2 (0.46) GAARAB9AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8501635 0.77 SIGMAR1 (0.56) GAARAB9AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8498689 0.76 SMN1; SMN2 (0.46) GAARAB9AMAPTMEN1KMT2A
Cns-5161 SCHEMBL29370312 0.71 GRIN2D (0.54) GAARAB9AMAPTMEN1KMT2A
Cns-5161 SCHEMBL499356 0.71 GRIN2D (0.54) GAARAB9AMAPTMEN1KMT2A

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-1896400-B1 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES FOR USE IN MEDICAL IMAGING HAMMERSMITH IMANET LTD (GB) 2013-10-16 EP disclosed
EP-1896400-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES Hammersmith Imanet, Ltd (GB) 2008-03-12 EP disclosed
WO-2006136846-A1 IMAGING 18F OR 11C-LABELLED ALKYLTHIOPHENYL GUANIDINES HAMMERSMITH IMANET LIMITED (GB) 2006-12-28 WO disclosed