SCHEMBL25753821

SCHEMBL25753821

CC(C)N=C1N(c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP2D6 P10635 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CHRNA7 P36544 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CHRNB2 P17787 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL25753806 0.89 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL25751670 0.71 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL9668729 0.69 SIGMAR1 (0.64) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL8026728 0.67 MEN1 (0.64) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL9607913 0.67 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL25751667 0.66 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL3257577 0.66 SIGMAR1 (0.58) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL10133974 0.66 SIGMAR1 (0.58) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL2452595 0.66 SIGMAR1 (0.58) SIGMAR1MEN1KMT2ANPC1RAB9A
SCHEMBL610584 0.66 NPC1 (1.00) SIGMAR1MEN1KMT2ANPC1RAB9A

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