SCHEMBL31413299

SCHEMBL31413299

CN[C@H]1CCN(C(=O)NCCN(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
MCHR1 Q99705 2/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP2D6 P10635 1/20 0.35
HRH4 Q9H3N8 3/20 0.35
TP53 P04637 1/20 0.35
PDK2 Q15119 1/20 0.34

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
SCHEMBL31297447 0.81 ALDH1A1 (0.38) LMNAPKMALDH1A1POLBRECQL
SCHEMBL13160340 0.78 ALDH1A1 (0.49) LMNAALDH1A1POLBRECQLL3MBTL1
SCHEMBL16420399 0.78 CYP2C19 (0.51) LMNAALDH1A1CYP2C19
SCHEMBL31403471 0.76 DNM1 (0.38) LMNAPKMALDH1A1POLBRECQL
SCHEMBL30753853 0.75 KMT2A (0.45) LMNAPKML3MBTL1
SCHEMBL30753921 0.74 LMNA (0.37) LMNAPKMALDH1A1POLBRECQL
SCHEMBL2603259 0.74 KMT2A (0.42) LMNAPKMALDH1A1HSD17B10L3MBTL1
SCHEMBL14984936 0.74 MEN1 (0.47) MCHR1HSD17B10HRH4
SCHEMBL8980164 0.74 MEN1 (0.47) MCHR1HSD17B10HRH4
SCHEMBL27748816 0.74 EPHX2 (0.44) LMNAPKMALDH1A1

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-119630656-A Heterocyclic compounds for inducing cleavage of mutant KRAS proteins 安斯泰来制药株式会社 2025-03-14 CN disclosed