SCHEMBL9008969

SCHEMBL9008969

COc1ccc(C(=O)N2c3ccc(-c4ccccc4N(C)C)cc3Sc3cc(-c4ccccc4N(C)C)ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.60
ACHE P22303 6/20 0.60
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.48
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
MAPK13 O15264 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
IGF1R P08069 1/20 0.45
ROS1 P08922 1/20 0.45
PIM1 P11309 1/20 0.45
PHKG2 P15735 1/20 0.45

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
SCHEMBL9009176 0.89 MEN1 (0.65) BCHEACHEMEN1MAPK1KMT2A
SCHEMBL9009147 0.89 MEN1 (0.49) BCHEACHEMEN1MAPK1KMT2A
SCHEMBL9009125 0.88 BCHE (0.57) BCHEACHEMEN1MAPK1KMT2A
SCHEMBL9009014 0.83 LMNA (0.60) BCHEACHEMEN1MAPK1KMT2A
SCHEMBL9008971 0.82 MEN1 (0.59) BCHEACHEMEN1MAPK1KMT2A
SCHEMBL9009137 0.79 MEN1 (0.72) BCHEACHEMEN1MAPK1KMT2A
SCHEMBL9009034 0.77 MEN1 (0.55) BCHEACHEMEN1MAPK1KMT2A
SCHEMBL28621381 0.76 BCHE (1.00) BCHEACHEHPGDPLK4AURKA
SCHEMBL12732198 0.75 BCHE (0.89) BCHEACHEHPGDPLK4AURKA
SCHEMBL10789221 0.75 BCHE (0.81) BCHEACHEHPGDPLK4AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565402-A RECORDING LAYER CONTAINING BLACK-FORMING FLUORAN DERIVATIVE AS BASIC DYE, PHENOTHIAZINE DERIVATIVE, DIPHENYL SULFONE DERIVATIVE COLOR ACCEPTOR NEW OJI PAPER CO., LTD. (JP) 1996-10-15 US disclosed