SCHEMBL9009034

SCHEMBL9009034

CCN(CC)c1ccccc1-c1ccc2c(c1)Sc1cc(-c3ccccc3N(CC)CC)ccc1N2C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
BCHE P06276 14/20 0.49
ACHE P22303 6/20 0.49
SLC6A3 Q01959 1/20 0.43
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.87 MEN1 (0.65) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009040 0.84 MEN1 (0.64) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009018 0.81 BCHE (0.43) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL3450428 0.81 MEN1 (0.74) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009125 0.80 BCHE (0.57) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9008969 0.77 BCHE (0.60) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009237 0.77 MEN1 (0.83) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL27851641 0.75 BCHE (0.59) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009183 0.75 MAPK1 (0.81) MEN1MAPK1KMT2ATDP1L3MBTL1
SCHEMBL9009147 0.75 MEN1 (0.49) 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