SCHEMBL10936914

SCHEMBL10936914

CCCNNCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
SIGMAR1 Q99720 13/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56

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
SCHEMBL10934660 0.94 SIGMAR1 (0.59) L3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL23070516 0.87 SIGMAR1 (0.75) L3MBTL1SIGMAR1
SCHEMBL9320464 0.85 ATM (0.58) L3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL7608570 0.84 SIGMAR1 (0.77) L3MBTL1SIGMAR1
SCHEMBL10395208 0.83 SIGMAR1 (0.73) L3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL25006483 0.82 SIGMAR1 (0.81) L3MBTL1SIGMAR1
SCHEMBL8135252 0.82 SIGMAR1 (0.59) L3MBTL1SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6378718 0.80 L3MBTL1 (0.68) L3MBTL1SIGMAR1MEN1KMT2A
SCHEMBL9819972 0.80 SIGMAR1 (0.85) L3MBTL1SIGMAR1
SCHEMBL9819750 0.80 SIGMAR1 (0.79) L3MBTL1SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4500452-A NOT SUBJECT TO ENZYME DEACTIVATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-02-19 US disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed