SCHEMBL23188697

SCHEMBL23188697

CCC(C)(C)n1ncc(S)c(Cl)c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
GPR183 P32249 1/20 0.36
RAB9A P51151 1/20 0.36
GPR35 Q9HC97 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL19738690 0.83 HTT (0.49) NPC1KMT2AMEN1GALR3NR2F2
SCHEMBL3847199 0.83 SMN1; SMN2 (0.46) NPC1KMT2AMEN1GALR3NR2F2
SCHEMBL21557032 0.81 SMN1; SMN2 (0.37) NPC1KMT2AMEN1GALR3NR2F2
SCHEMBL19738637 0.71 HTT (0.47) NPC1KMT2AMEN1GALR3NR2F2
SCHEMBL10824672 0.68 KMT2A (0.41) NPC1KMT2AMEN1RAB9AGPR35
SCHEMBL9236925 0.65 ALDH1A1 (0.47) NPC1KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL1627210 0.65 SMN1; SMN2 (0.50) NPC1KMT2AMEN1GALR3NR2F2
SCHEMBL16998536 0.64 SMN1; SMN2 (0.53) NPC1KMT2AMEN1GALR3NR2F2
SCHEMBL17738012 0.63 SMN1; SMN2 (0.50) NPC1KMT2AMEN1GALR3NR2F2
SCHEMBL9235153 0.63 SMN1; SMN2 (0.38) NPC1KMT2AMEN1GALR3NR2F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3385253-B1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING INC (US) 2021-04-07 EP disclosed