SCHEMBL9330615

SCHEMBL9330615

C=C1N(C)c2cccc(N)c2C1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA2C P18825 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
CD44 P16070 1/20 0.33
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APP P05067 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SNCA P37840 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4601919 0.79 GAA (0.34) MPITDP1KDM4EGAAMEN1
SCHEMBL14428064 0.74 MPI (0.30) MPITDP1KDM4EGAANSD2
Questiomycin B SCHEMBL9330329 0.73 TSHR (0.44) MPITDP1KDM4EGAAMEN1
SCHEMBL8397425 0.71 HTT (0.51) MPITDP1KDM4EGAAMEN1
SCHEMBL918366 0.71 HTT (0.51) MPITDP1KDM4EGAAMEN1
SCHEMBL6859897 0.70 MPI (0.32) MPITDP1
SCHEMBL11444474 0.70 NR1H2 (0.36) GAAMEN1KMT2AALDH1A1LMNA
SCHEMBL6574797 0.70 MAPT (0.42) TDP1KDM4EGAAMEN1KMT2A
SCHEMBL7712519 0.69 MYC (0.44) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL5850231 0.69 HTR7 (0.41) KDM4EMEN1KMT2AHTTALDH1A1

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-0339661-B1 Photochromic substances RODENSTOCK OPTIK G (DE) 1994-04-20 EP disclosed
EP-0339661-A2 Photochromic substances Optische Werke G. Rodenstock (DE) 1989-11-02 EP disclosed