SCHEMBL5003448

SCHEMBL5003448

Clc1ccc(CN(Cc2ccc(Cl)cc2)c2nnn[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PYCR1 P32322 1/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
CYP2D6 P10635 4/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
CXCR3 P49682 2/20 0.36
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL1600942 0.82 HCAR3 (0.41) ALDH1A1PYCR1SLC6A2SLC6A4SLC6A3
SCHEMBL6505678 0.69 NR1H2 (0.41) ALDH1A1L3MBTL1KDM4EKMT2AIDO1
SCHEMBL10941283 0.66 SLC6A2 (0.50) ALDH1A1L3MBTL1PYCR1SLC6A2SLC6A4
SCHEMBL15616984 0.66 AOC3 (0.41) ALDH1A1PYCR1CYP2D6CYP2C19CYP1A2
SCHEMBL19354586 0.66 SLC6A4 (0.41) ALDH1A1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL19354511 0.66 SLC6A4 (0.41) ALDH1A1L3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL5026313 0.66 IGF1R (0.39) ALDH1A1L3MBTL1KCNH2
SCHEMBL11327663 0.64 ALDH1A1 (0.44) ALDH1A1CHRM2KDM4EMEN1KMT2A
SCHEMBL10821420 0.62 RAB9A (0.38) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL10945992 0.62 SLC6A3 (0.63) ALDH1A1L3MBTL1SLC6A2SLC6A4SLC6A3

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-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US 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
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20190219646-A1 Protein Reporters for Ultrasensitive Detection Methods THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2019-07-18 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
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed