SCHEMBL3919033

SCHEMBL3919033

CCN(C(N)=Nc1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SIGMAR1 Q99720 6/20 0.54
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
TSHR P16473 1/20 0.52
HTR3E A5X5Y0 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
SLC22A3 O75751 1/20 0.50
HTR3B O95264 1/20 0.50
PLAU P00749 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
NOS3 P29474 4/20 0.48
NOS1 P29475 4/20 0.48
NOS2 P35228 2/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46

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
SCHEMBL3921499 0.86 SIGMAR1 (0.51) MEN1KMT2ASIGMAR1ALDH1A1GLA
SCHEMBL17360623 0.82 SLC22A2 (0.50) MEN1KMT2ASIGMAR1HTR3ESLC22A2
SCHEMBL11842169 0.81 MEN1 (0.57) MEN1KMT2ASIGMAR1ALDH1A1GLA
SCHEMBL11842159 0.81 MEN1 (0.57) MEN1KMT2ASIGMAR1ALDH1A1GLA
SCHEMBL8400927 0.80 MEN1 (0.56) MEN1KMT2ASIGMAR1ALDH1A1GLA
SCHEMBL6157663 0.79 NOS1 (0.54) MEN1KMT2ASIGMAR1ALDH1A1HTR3E
SCHEMBL17329339 0.78 SLC22A2 (0.46) MEN1KMT2ASIGMAR1HTR3ESLC22A2
SCHEMBL3911421 0.77 ALDH1A1 (0.50) MEN1KMT2ASIGMAR1ALDH1A1GLA
SCHEMBL7562289 0.77 SLC22A2 (0.44) MEN1KMT2ASIGMAR1HTR3ESLC22A2
SCHEMBL6721400 0.77 SIGMAR1 (0.72) SIGMAR1

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
US-6251948-B1 Tri-and tetra-substituted guanidines and their use as excitatory amino acid antagonists STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON 2001-06-26 US claimed
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed