SCHEMBL4314802

SCHEMBL4314802

C[C@H](O)[C@H](N)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
NOS1 P29475 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
FDPS P14324 2/20 0.33
ADAM17 P78536 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CTSA P10619 2/20 0.31
FBP1 P09467 1/20 0.31
PDK1 Q15118 1/20 0.31
ALOX12 P18054 2/20 0.31
ALOX15 P16050 1/20 0.31
HRH1 P35367 2/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4314807 1.00 ALDH1A1 (0.38) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL12261831 0.83 ALDH1A1 (0.41) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL15676503 0.80 ALDH1A1 (0.38) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL15676022 0.80 ALDH1A1 (0.38) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL15676401 0.80 ALDH1A1 (0.38) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL2033997 0.79 ADAM17 (0.39) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL2039865 0.79 ALDH1A1 (0.38) ALDH1A1TSHRNOS1HSD17B10KDM4E
SCHEMBL4093831 0.79
SCHEMBL19267359 0.79
SCHEMBL507980 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 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