SCHEMBL8555441

SCHEMBL8555441

CN(c1c([N+](=O)[O-])cnc2ccccc12)C12CCCN1CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSB P07858 1/20 0.36
AR P10275 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 2/20 0.35
TNNI3 P19429 1/20 0.35
TNNT2 P45379 1/20 0.35
TNNC1 P63316 1/20 0.35
MITF O75030 1/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PSMD14 O00487 1/20 0.35
APAF1 O14727 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL8556306 0.82 KDR (0.34) DYRK1ADYRK1BPOLBMAPTSMN1; SMN2
SCHEMBL8554099 0.80 GRM5 (0.33) HTTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8558963 0.79 HTT (0.33) SMN1; SMN2HTTKMT2AKDM4EALDH1A1
SCHEMBL8554052 0.77 LMNA (0.37) CTSBARPOLBMAPTKMT2A
SCHEMBL28719466 0.76 POLB (0.47) DYRK1ADYRK1BCYP1A2POLBMAPT
SCHEMBL8555439 0.72 RAB9A (0.38) CTSBARPOLBMAPTSMN1; SMN2
SCHEMBL8595610 0.67 CTSB (0.39) CTSBARMAPTSMN1; SMN2TNNI3
SCHEMBL4727431 0.66 POLB (0.51) CYP1A2POLBMAPTSMN1; SMN2HTT
SCHEMBL28058588 0.66 POLB (0.51) CYP1A2POLBMAPTSMN1; SMN2HTT
SCHEMBL5796165 0.66 POLB (0.42) CYP1A2CTSBPOLBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP claimed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US claimed
JP-6184152-A None JP disclosed
EP-0543307-B1 Nootropic agent SANWA KAGAKU KENKYUSHO CO (JP) 1998-05-06 EP disclosed
US-5434165-A Nootropic agents, compositions of, and method of use thereof SANAWA KAGAKU KENKYUSHO COMPANY, LTD. (JP) 1995-07-18 US disclosed
JP-H06184152-A NEW COMPOUND, ITS PRODUCTION AND BRAIN FUNCTION IMPROVER USING THE SAME AS MAIN INGREDIENT SANWA KAGAKU KENKYUSHO CO LTD 1994-07-05 JP disclosed
EP-0543307-A2 Nootropic agent SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1993-05-26 EP disclosed