SCHEMBL22480397

SCHEMBL22480397

CCN(C)Cc1cnn(CC)c1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
HPGD P15428 3/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
CYP11B2 P19099 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL1360737 0.77 HPGD (0.49) HTTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL12844151 0.73 HTT (0.44) HTTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL1360946 0.73 HTT (0.44) HTTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL1840771 0.73 HTT (0.44) HTTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL12775771 0.70 HTT (0.42) HTTHPGDKMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL22468806 0.69 HPGD (0.50) HTTHPGDKMT2ASMN1; SMN2MEN1
SCHEMBL27446147 0.68 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL1360243 0.68
SCHEMBL2001301 0.67 P2RX7 (0.42) HPGDSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL1719142 0.67 HPGD (0.48) HTTHPGDKMT2ASMN1; SMN2MEN1

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
WO-2020198567-A1 QUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER Epizyme, Inc. (US) 2020-10-01 WO disclosed