SCHEMBL4318522

SCHEMBL4318522

N#C/C(=C/Nc1ccc(Nc2ccccc2)cc1)c1nnn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ ALOX12 P18054 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ KMT2A Q03164 9/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ MAPT P10636 7/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4318524 1.00 GAA (0.43) GAAALDH1A1ALOX12HTTKMT2A
SCHEMBL9595515 0.76 MAPT (0.48) GAAALDH1A1ALOX12KMT2AMEN1
SCHEMBL10993495 0.76 GAA (0.32) GAAKMT2AMEN1MAPTLMNA
SCHEMBL11034900 0.73 MAPT (0.50) GAAALDH1A1ALOX12HTTKMT2A
SCHEMBL11034895 0.73 MAPT (0.50) GAAALDH1A1ALOX12HTTKMT2A
SCHEMBL10990642 0.72 MAPT (0.46) GAAALDH1A1ALOX12HTTKMT2A
SCHEMBL10990634 0.72 MAPT (0.46) GAAALDH1A1ALOX12HTTKMT2A
SCHEMBL9599085 0.72 GAA (0.33) GAAALDH1A1HTTKMT2AMEN1
SCHEMBL10987773 0.72 MEN1 (0.41) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL10987783 0.72 MEN1 (0.41) GAAALDH1A1KMT2AMEN1MAPT

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-11300640-B2 Protein reporters for ultrasensitive detection methods THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2022-04-12 — — US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 — — EP disclosed
US-20190219646-A1 Protein Reporters for Ultrasensitive Detection Methods THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2019-07-18 — — US disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 — — WO 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
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