SCHEMBL13980002

SCHEMBL13980002

Cc1ccc(N(C2=CCCC=C2)c2ccc(/C=N/N(Cc3cccs3)c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPM8 Q7Z2W7 4/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
HSP90AA1 P07900 1/20 0.39
POLB P06746 3/20 0.38
PKM P14618 1/20 0.37
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 4/20 0.34
TP53 P04637 3/20 0.34
MAPK1 P28482 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL139348 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL12345955 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL15085233 0.84 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL139345 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL8323484 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL19347137 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL13979403 0.78 MEN1 (0.38) ALDH1A1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL21564087 0.75 MEN1 (0.44) ALDH1A1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL21577724 0.75 CYP1A2 (0.39) ALDH1A1MEN1KMT2AMCL1SMN1; SMN2
SCHEMBL13019359 0.74 CYP2C19 (0.40) ALDH1A1TRPM8MAPTCNR1CNR2

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
EP-1146397-B1 Electrophotographic cartridge, image-forming method and image-forming apparatus MITSUBISHI CHEM CORP (JP) 2008-12-24 EP disclosed