SCHEMBL9587121

SCHEMBL9587121

NCCCCCCN.NCCCN1CCN(CCCN)CC1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALOX15 P16050 1/20 0.58
SIGMAR1 Q99720 2/20 0.52
CYP2D6 P10635 1/20 0.52
ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL1615521 0.94 ALOX15 (0.58) KEAP1SMN1; SMN2ALOX15SIGMAR1ACE2
SCHEMBL1615270 0.94 ALOX15 (0.58) KEAP1SMN1; SMN2ALOX15SIGMAR1ACE2
SCHEMBL1615232 0.94 ALOX15 (0.58) KEAP1SMN1; SMN2ALOX15SIGMAR1ACE2
SCHEMBL18071938 0.94 KEAP1 (0.61) KEAP1SMN1; SMN2ALOX15SIGMAR1CYP2D6
SCHEMBL1614358 0.94 ALOX15 (0.58) KEAP1SMN1; SMN2ALOX15SIGMAR1ACE2
SCHEMBL1614410 0.94 ALOX15 (0.58) KEAP1SMN1; SMN2ALOX15SIGMAR1ACE2
SCHEMBL1614431 0.94 ALOX15 (0.58) KEAP1SMN1; SMN2ALOX15SIGMAR1ACE2
SCHEMBL101501 0.94 KEAP1 (0.67) KEAP1SMN1; SMN2ALOX15SIGMAR1CYP2D6
SCHEMBL1616800 0.94
SCHEMBL1615517 0.91 ALOX15 (0.61) KEAP1SMN1; SMN2ALOX15SIGMAR1CYP2D6

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
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 US disclosed