SCHEMBL11152005

SCHEMBL11152005

NC(=O)CC(O)(c1ccccc1)n1cnc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.43
ASAH1 Q13510 3/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
APAF1 O14727 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
FDPS P14324 1/20 0.39
PLK1 P53350 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2298534 0.72 EGLN3 (0.45) EGLN3ASAH1KDM4ENPC1SMN1; SMN2
SCHEMBL2794301 0.71 HTT (0.48) EGLN3ASAH1SMN1; SMN2HTTKMT2A
SCHEMBL11578320 0.70 NPC1 (0.43) EGLN3ASAH1KDM4ENPC1SMN1; SMN2
SCHEMBL10683773 0.70 APAF1 (0.44) EGLN3ASAH1KDM4ENPC1SMN1; SMN2
Carbamic Acid SCHEMBL10888970 0.68 SMN1; SMN2 (0.56) EGLN3ASAH1KDM4ENPC1SMN1; SMN2
SCHEMBL828619 0.68 KMT2A (0.57) EGLN3ASAH1KDM4ENPC1SMN1; SMN2
SCHEMBL11882632 0.68 KMT2A (0.57) EGLN3ASAH1KDM4ENPC1SMN1; SMN2
SCHEMBL6175276 0.68 FDPS (0.46) EGLN3NPC1SMN1; SMN2APAF1FDPS
SCHEMBL1038315 0.67 KDM4E (0.69) EGLN3KDM4ENPC1SMN1; SMN2APAF1
SCHEMBL15545884 0.67 TDP1 (0.48) SMN1; SMN2MKNK1MKNK2HTTKMT2A

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-4420479-A 1-SUBSTITUTED, 2-AMINO-BENZIMIDAZOLES ELI LILLY AND COMPANY (US) 1983-12-13 US disclosed
EP-0091795-A1 Olefinic benzimidazoles ELI LILLY AND COMPANY (US) 1983-10-19 EP disclosed