SCHEMBL10458041

SCHEMBL10458041

NCCCCN1CC1.NCCCCNN1CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.47
SIGMAR1 Q99720 2/20 0.43
ALOX15 P16050 1/20 0.41
KEAP1 Q14145 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP2D6 P10635 1/20 0.37

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
SCHEMBL2479651 0.87
SCHEMBL13496721 0.81 ACE2 (0.44) ACE2SIGMAR1ALOX15KEAP1SMN1; SMN2
SCHEMBL1615517 0.80 ALOX15 (0.61) ACE2SIGMAR1ALOX15KEAP1SMN1; SMN2
SCHEMBL4666999 0.80
SCHEMBL10456366 0.79 CA12 (0.54) ACE2ALOX15SMN1; SMN2
SCHEMBL29263862 0.78 GNAI3 (0.54) ACE2ALOX15
SCHEMBL1615521 0.78 ALOX15 (0.58) ACE2SIGMAR1ALOX15KEAP1SMN1; SMN2
SCHEMBL1614410 0.78 ALOX15 (0.58) ACE2SIGMAR1ALOX15KEAP1SMN1; SMN2
SCHEMBL1614431 0.78 ALOX15 (0.58) ACE2SIGMAR1ALOX15KEAP1SMN1; SMN2
SCHEMBL1615232 0.78 ALOX15 (0.58) ACE2SIGMAR1ALOX15KEAP1SMN1; SMN2

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-4925835-A INHIBITING PROLIFERATION OF CANCER CELLS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed