SCHEMBL8555813

SCHEMBL8555813

CC(C)N(CCNc1ccc([N+](=O)[O-])c2ccccc12)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
KMT2A Q03164 5/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NSD2 O96028 1/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
CTSB P07858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
AKR1C4 P17516 2/20 0.40
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
AKR1C1 Q04828 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHEK1 O14757 1/20 0.40
PIM1 P11309 1/20 0.40
IDO1 P14902 1/20 0.40
LTK P29376 1/20 0.40
LIMK1 P53667 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL6370241 0.83 CHEK1 (0.60) MAPTKMT2ANPSR1NSD2ALDH1A1
SCHEMBL11143939 0.79 MAPT (0.49) MAPTKMT2ANPSR1NSD2ALDH1A1
SCHEMBL8039525 0.77 HCAR3 (0.55) MAPTKMT2ANPSR1NSD2ALDH1A1
SCHEMBL8886382 0.76 MAPT (0.63) MAPTKMT2ANPSR1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL31741335 0.76 MAPT (0.65) MAPTKMT2AALDH1A1CTSBTDP1
SCHEMBL11137210 0.76 MAPT (0.52) MAPTKMT2ANPSR1NSD2ALDH1A1
SCHEMBL5394907 0.75 MAPT (0.56) MAPTKMT2ANPSR1NSD2ALDH1A1
SCHEMBL3814746 0.75 TDP1 (0.55) MAPTKMT2AALDH1A1MEN1CTSB
SCHEMBL8885076 0.73 MAPT (0.50) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL20259977 0.72 HTR6 (0.48) MAPTKMT2ANPSR1ALDH1A1SMN1; 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 3 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
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