SCHEMBL22014791

SCHEMBL22014791

NCCS(=O)(=O)CC(=O)N1CCN(I)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.31
ATM Q13315 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL24208950 0.83 CYP1A2 (0.39) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL22015305 0.80 ALDH1A1 (0.47) ALDH1A1POLBLMNAATMMEN1
SCHEMBL22014802 0.79 CA2 (0.37) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL24209013 0.76 SIGMAR1 (0.41) ALDH1A1POLBSMN1; SMN2HSD17B10
SCHEMBL22015313 0.74 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL22014821 0.73 KDM4E (0.50) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL11532891 0.72 ALDH1A1 (0.37) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL15432296 0.66 MEN1 (0.41) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL22281369 0.66 KMT2A (0.41) ALDH1A1POLBSMN1; SMN2NPC1HSD17B10
SCHEMBL22014834 0.66 KMT2A (0.30) KMT2A

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
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO disclosed