SCHEMBL25129261

SCHEMBL25129261

C/N=C1/N(C)CCN1CCCc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2A6 P11509 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HRH1 P35367 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
SCD O00767 1/20 0.41

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
SCHEMBL27062247 0.86 TDP1 (0.43) TDP1L3MBTL1CYP2A6HRH3SIGMAR1
SCHEMBL25751682 0.86 TDP1 (0.43) TDP1L3MBTL1CYP2A6HRH3HRH1
SCHEMBL25751679 0.82 TDP1 (0.47) TDP1L3MBTL1CYP2A6HRH3HRH1
SCHEMBL25129262 0.75 SIGMAR1 (0.55) SIGMAR1
SCHEMBL7452098 0.71 CHRNB2 (0.65) TDP1L3MBTL1CYP2A6SIGMAR1
SCHEMBL27345028 0.70 CHRNB2 (0.63) TDP1L3MBTL1CYP2A6SIGMAR1
SCHEMBL29485677 0.69 CYP2A6 (0.76) TDP1L3MBTL1CYP2A6HRH3HRH1
SCHEMBL29485675 0.69 TDP1 (0.80) TDP1L3MBTL1CYP2A6HRH3HRH1
SCHEMBL2843094 0.69 CYP2A6 (0.76) TDP1L3MBTL1CYP2A6HRH3HRH1
SCHEMBL724788 0.69 TDP1 (0.80) TDP1L3MBTL1CYP2A6HRH3HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091644-A2 HSD17B13-RELATED DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-05-25 WO disclosed
WO-2023049218-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-03-30 WO disclosed