SCHEMBL9009147

SCHEMBL9009147

CC(C)Oc1ccc(C(=O)N2c3ccc(-c4ccccc4N(C)C)cc3Sc3cc(-c4ccccc4N(C)C)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BCHE P06276 11/20 0.46
ACHE P22303 5/20 0.46
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CHRM5 P08912 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL9008969 0.89 BCHE (0.60) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009176 0.86 MEN1 (0.65) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009125 0.85 BCHE (0.57) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009153 0.83 KMT2A (0.56) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009014 0.76 LMNA (0.60) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009034 0.75 MEN1 (0.55) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9008971 0.71 MEN1 (0.59) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009018 0.71 BCHE (0.43) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009183 0.70 MAPK1 (0.81) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009137 0.68 MEN1 (0.72) MEN1MAPK1KMT2ATDP1L3MBTL1

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