SCHEMBL25753806

SCHEMBL25753806

CC(C)/N=C1\N(C)CCN1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
MAPT P10636 2/20 0.33
CYP2D6 P10635 1/20 0.33
ATM Q13315 1/20 0.33
MC4R P32245 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOA P21397 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GFER P55789 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 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
SCHEMBL25753821 0.89 SIGMAR1 (0.48) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL25751667 0.75 SIGMAR1 (0.42) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL9607913 0.73 SIGMAR1 (0.48) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL2234870 0.69 MEN1 (0.72) SIGMAR1MEN1NPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL11228832 0.68 SIGMAR1 (0.69) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL11391103 0.68 CYP2D6 (0.41) SIGMAR1DRD3CYP2D6MC4RALDH1A1
SCHEMBL25766991 0.68 INMT (0.33)
SCHEMBL11504050 0.67 S1PR3 (0.41) MEN1NPC1RAB9AKMT2AS1PR1
SCHEMBL11504049 0.67 S1PR3 (0.41) MEN1NPC1RAB9AKMT2AS1PR1
SCHEMBL23806561 0.67

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-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed