SCHEMBL29307134

SCHEMBL29307134

C[C@H]1CN(CCCS)CCO1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
DRD1 P21728 1/20 0.40
PDK1 Q15118 1/20 0.40
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD3 P35462 4/20 0.33
ADORA2A P29274 1/20 0.32
KEAP1 Q14145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22463774 0.83 SIGMAR1 (0.52) KDM1ADRD1PDK1EBPSIGMAR1
SCHEMBL14027741 0.83 SIGMAR1 (0.52) KDM1ADRD1PDK1EBPSIGMAR1
SCHEMBL29645051 0.83 SIGMAR1 (0.52) KDM1ADRD1PDK1EBPSIGMAR1
SCHEMBL6043570 0.81 KDM1A (0.44) KDM1ADRD1PDK1EBPSIGMAR1
SCHEMBL6043208 0.81 KDM1A (0.44) KDM1ADRD1PDK1EBPSIGMAR1
SCHEMBL26894002 0.81 KDM1A (0.44) KDM1ADRD1PDK1EBPSIGMAR1
SCHEMBL4024791 0.81 KDM1A (0.44) KDM1ADRD1PDK1EBPSIGMAR1
SCHEMBL22463763 0.81 EBP (0.59) KDM1ADRD1PDK1EBPSIGMAR1
SCHEMBL9801679 0.81 KEAP1 (0.52) KDM1ADRD1PDK1EBPSIGMAR1
SCHEMBL26621721 0.81 KDM1A (0.44) KDM1ADRD1PDK1EBPSIGMAR1

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
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed