SCHEMBL11259657

SCHEMBL11259657

CC1CCC(C#N)(NC(=O)CCl)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
PAX8 Q06710 1/20 0.36
DPP4 P27487 1/20 0.36
CTSK P43235 4/20 0.35
CTSS P25774 4/20 0.35
ALDH1A1 P00352 2/20 0.35
CTSC P53634 2/20 0.34
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
PDE4A P27815 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11252169 0.84 NPC1 (0.35) NPC1RAB9APAX8CTSKCTSS
SCHEMBL11247776 0.84 CTSL (0.35) LMNANPC1RAB9APAX8CTSK
SCHEMBL11941321 0.84 MCL1 (0.40) DPP4CTSKCTSSALDH1A1CTSC
SCHEMBL11941319 0.81 CTSK (0.35) DPP4CTSKCTSSCTSCCTSL
SCHEMBL11253656 0.81 NPC1 (0.49) NPC1RAB9APAX8ALDH1A1TDP1
SCHEMBL11255307 0.80 NPC1 (0.51) NPC1RAB9APAX8ALDH1A1TDP1
SCHEMBL11250957 0.80 NPC1 (0.51) NPC1RAB9APAX8ALDH1A1TDP1
SCHEMBL11258789 0.79 CTSS (0.37) CTSKCTSSCTSCCTSLCTSB
SCHEMBL11253688 0.79 DPP4 (0.33) LMNADPP4CTSKCTSSCTSC
SCHEMBL11254450 0.77 CTSC (0.34) DPP4CTSKCTSSCTSCCTSL

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-4335053-A HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed
US-4288384-A N-Cyanoalkyl haloacetamides herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1981-09-08 US disclosed