SCHEMBL31324973

SCHEMBL31324973

NCCCN1CCN(CCCN)C(=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HEXA P06865 2/20 0.36
HEXB P07686 2/20 0.36
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.32
HTR2A P28223 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
HSD17B10 Q99714 1/20 0.30
PLA2G2A P14555 1/20 0.30
ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL9190064 0.85 KEAP1 (0.38) KEAP1SMN1; SMN2HEXAHEXBSIGMAR1
Hydrochloric Acid SCHEMBL8174495 0.83 ITGB3 (0.44) CYP2D6
SCHEMBL1446283 0.78 KEAP1 (0.33) KEAP1SMN1; SMN2SIGMAR1CYP2D6HSD17B10
SCHEMBL11670622 0.76
SCHEMBL880547 0.75 ALOX15 (0.33) ALOX15
Hydrochloric Acid SCHEMBL5488595 0.73 GAA (0.36) KEAP1SMN1; SMN2
SCHEMBL5587563 0.73 ACE (0.31) KEAP1SMN1; SMN2
Hydrochloric Acid SCHEMBL853595 0.73 ALOX15 (0.32) ALOX15
SCHEMBL1446364 0.73 ALDH1A1 (0.42) KEAP1SMN1; SMN2CYP2D6
SCHEMBL56994 0.73 TSHR (0.50) CYP2D6

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-119504628-A Synthetic method of pleshafu impurity 北京沣瑞医药科技有限公司 2025-02-25 CN disclosed