SCHEMBL9124451

SCHEMBL9124451

C=C(C)C(=O)NCCCN.C=CN1CCCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
PAOX Q6QHF9 2/20 0.31
RAD52 P43351 1/20 0.30
ATM Q13315 1/20 0.30
KMT2A Q03164 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
SCHEMBL9128677 0.96 RAB9A (0.37) RAB9ANPC1PAOXRAD52ATM
SCHEMBL83920 0.82 RAD52 (0.44) RAB9ANPC1RAD52KMT2A
Hydrochloric Acid SCHEMBL28195490 0.81 RAB9A (0.35) RAB9ANPC1ATMKMT2A
Hydrochloric Acid SCHEMBL444004 0.81 RAB9A (0.35) RAB9ANPC1ATMKMT2A
Methacrylic Acid SCHEMBL28636504 0.75 KMT2A (0.37) KMT2A
SCHEMBL28954974 0.74 PAOX (0.52) PAOX
SCHEMBL49567 0.74 PAOX (0.52) PAOX
SCHEMBL18094309 0.74
SCHEMBL6304602 0.73 TDP1 (0.40)
SCHEMBL31414218 0.73 ALDH1A1 (0.43) ATMKMT2A

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-5391667-A Blend with ethynically unsaturated monomer having atleast one amine or amine-displaceable functionality and crosslinking agent; supports ISIS PHARMACEUTICALS (US) 1995-02-21 US disclosed