SCHEMBL21557032

SCHEMBL21557032

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.37
NPC1 O15118 4/20 0.37
HTT P42858 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MITF O75030 1/20 0.37
KMT2A Q03164 4/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
GPR183 P32249 1/20 0.36
GPR35 Q9HC97 1/20 0.36
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 2/20 0.32
TSHR P16473 3/20 0.32
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31

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) SMN1; SMN2NPC1HTTALDH1A1MITF
SCHEMBL1627207 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1HTTALDH1A1MITF
SCHEMBL23188697 0.81 NPC1 (0.36) SMN1; SMN2NPC1HTTALDH1A1MITF
SCHEMBL9828927 0.73 GAA (0.57) SMN1; SMN2NPC1HTTALDH1A1MITF
SCHEMBL13620347 0.71 KAT2B (0.36) SMN1; SMN2NPC1HTTALDH1A1MITF
SCHEMBL19738637 0.71 HTT (0.47) SMN1; SMN2NPC1HTTALDH1A1MITF
SCHEMBL12160455 0.70 KAT2B (0.56) ALDH1A1RAB9ANPSR1GAAMAPT
SCHEMBL2323909 0.68 GAA (0.41) SMN1; SMN2NPC1HTTALDH1A1MITF
SCHEMBL11946605 0.66 SMN1; SMN2 (0.37) SMN1; SMN2NPC1HTTALDH1A1KMT2A
SCHEMBL10366081 0.66 BPTF (0.46) SMN1; SMN2NPC1HTTALDH1A1MITF

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-2419096-B1 STABILIZATION OF RADIOPHARMACEUTICAL COMPOSITIONS USING ASCORBIC ACID LANTHEUS MEDICAL IMAGING INC (US) 2019-11-13 EP disclosed