SCHEMBL3921499

SCHEMBL3921499

CCCN(C(N)=Nc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.51
SLC22A2 O15244 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
SLC22A1 O15245 1/20 0.47
SLC22A3 O75751 1/20 0.47
HTR3B O95264 1/20 0.47
PLAU P00749 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
NOS3 P29474 4/20 0.46
NOS1 P29475 4/20 0.46
NOS2 P35228 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2A P08913 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
SCHEMBL3919033 0.86 MEN1 (0.54) SIGMAR1SLC22A2HTR3ESLC22A1SLC22A3
SCHEMBL17329339 0.82 SLC22A2 (0.46) SIGMAR1SLC22A2HTR3ESLC22A1SLC22A3
SCHEMBL17329388 0.80 SLC22A2 (0.43) SIGMAR1SLC22A2HTR3ESLC22A1SLC22A3
SCHEMBL17360623 0.79 SLC22A2 (0.50) SIGMAR1SLC22A2HTR3ESLC22A1SLC22A3
SCHEMBL3919505 0.79 TP53 (0.42) SIGMAR1SLC22A2HTR3ESLC22A1SLC22A3
SCHEMBL16935719 0.77 TP53 (0.50) MEN1KMT2ATP53ALDH1A1GLA
SCHEMBL6920739 0.75 ALDH1A1 (0.50) MEN1KMT2ATP53ALDH1A1GLA
SCHEMBL10824119 0.75 MEN1 (0.53) MEN1KMT2ATP53ALDH1A1GLA
SCHEMBL6261729 0.75 TP53 (0.58) MEN1KMT2ATP53ALDH1A1GLA
SCHEMBL3911915 0.75 KMT2A (0.48) SIGMAR1MEN1KMT2ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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