SCHEMBL29956360

SCHEMBL29956360

CCCn1cc(Cl)c(C=O)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
DUSP3 P51452 1/20 0.33
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL29951802 0.85 SMN1; SMN2 (0.40) ALDH1A1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL29956423 0.78 ALDH1A1 (0.36) ALDH1A1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL568038 0.76
SCHEMBL25425748 0.75 L3MBTL1 (0.34) L3MBTL1
SCHEMBL4915942 0.74 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL16347183 0.71 SMN1; SMN2 (0.54) ALDH1A1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL15764111 0.70 L3MBTL1 (0.32) L3MBTL1
SCHEMBL18083199 0.69 L3MBTL1 (0.37) L3MBTL1CNR2
SCHEMBL20254196 0.68 ALDH1A1 (0.35) ALDH1A1L3MBTL1RAB9ASMN1; SMN2NPC1
SCHEMBL568855 0.68 ADCY10 (0.33)

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed