SCHEMBL29025599

SCHEMBL29025599

CC(O)CN1CCCC1.CC(O)CN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.54
ATM Q13315 2/20 0.54
HSD17B10 Q99714 1/20 0.43
SLC6A3 Q01959 1/20 0.41
DRD3 P35462 3/20 0.41
DRD2 P14416 2/20 0.41
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2B P18089 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL19617353 1.00
SCHEMBL65035 1.00
SCHEMBL25299343 1.00
SCHEMBL862327 0.97 MEN1 (0.64) KMT2AMEN1MAPTATMHSD17B10
SCHEMBL16115683 0.97 MEN1 (0.64) KMT2AMEN1MAPTATMHSD17B10
Bromide SCHEMBL14778081 0.97 KMT2A (0.56) KMT2AMEN1MAPTATMHSD17B10
Hydrochloric Acid SCHEMBL8578344 0.97 KMT2A (0.56) KMT2AMEN1MAPTATMHSD17B10
SCHEMBL23163258 0.97 MEN1 (0.64) KMT2AMEN1MAPTATMHSD17B10
SCHEMBL915393 0.97 MEN1 (0.64) KMT2AMEN1MAPTATMHSD17B10
SCHEMBL14511330 0.97 MEN1 (0.64) KMT2AMEN1MAPTATMHSD17B10

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
CN-116368159-A Process and catalyst for hydrogen-mediated anionic polymerization of conjugated dienes and liquid polymers thereof 雅宝公司 2023-06-30 CN disclosed