SCHEMBL4316809

SCHEMBL4316809

O=C1N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 1.00
GAA P10253 1/20 0.50
OXTR P30559 1/20 0.49
HDAC4 P56524 4/20 0.46
HDAC1 Q13547 3/20 0.46
UBE2N P61088 1/20 0.46
MMP2 P08253 1/20 0.44
HRH4 Q9H3N8 2/20 0.43
HTR3A P46098 1/20 0.43
HRH3 Q9Y5N1 5/20 0.43
HDAC6 Q9UBN7 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL4316806 1.00 SMN1; SMN2 (1.00) SMN1; SMN2GAAOXTRHDAC4HDAC1
SCHEMBL12228287 1.00 SMN1; SMN2 (1.00) SMN1; SMN2GAAOXTRHDAC4HDAC1
SCHEMBL22096056 1.00 SMN1; SMN2 (1.00) SMN1; SMN2GAAOXTRHDAC4HDAC1
SCHEMBL26786348 0.80 SMN1; SMN2 (0.67) SMN1; SMN2GAAUBE2NHRH4HTR3A
SCHEMBL31094302 0.78 SMN1; SMN2 (0.61) SMN1; SMN2OXTRHDAC4HDAC1HDAC6
SCHEMBL13232395 0.77 SMN1; SMN2 (0.60) SMN1; SMN2OXTRHDAC4MMP2
SCHEMBL22096057 0.76 SMN1; SMN2 (0.61) SMN1; SMN2GAAHRH4HTR3AHRH3
SCHEMBL9479972 0.75 SMN1; SMN2 (0.60) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3
SCHEMBL14952797 0.75 SMN1; SMN2 (0.60) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3
SCHEMBL2039884 0.75 SMN1; SMN2 (0.60) SMN1; SMN2HDAC4HDAC1HDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed