SCHEMBL9112452

SCHEMBL9112452

CC(=CC=Nc1ccccc1)CC=Nc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
KMT2A Q03164 12/20 0.36
MEN1 O00255 9/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 4/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
S100B P04271 1/20 0.33
GAA P10253 3/20 0.33
RECQL P46063 2/20 0.33
MAPK1 P28482 2/20 0.33
CTNNB1 P35222 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8607892 1.00 NOS3 (0.36) NOS3NOS1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL7624072 0.98 KMT2A (0.35) NOS3NOS1KMT2AMEN1MAPT
Bromide SCHEMBL7703398 0.98 NOS3 (0.38) NOS3NOS1KMT2AMEN1MAPT
SCHEMBL13035384 0.81 NOS3 (0.39) NOS3NOS1KMT2AMEN1MAPT
SCHEMBL8603549 0.81 ALDH1A1 (0.33) NOS3NOS1KMT2AMEN1MAPT
SCHEMBL9318402 0.76 NOS1 (0.47) NOS3NOS1KMT2AMEN1MAPT
SCHEMBL9869506 0.73 ALDH1A1 (0.36) NOS3NOS1KMT2AMEN1MAPT
SCHEMBL10031422 0.70 NOS3 (0.36) NOS3NOS1KMT2AMEN1MAPT
SCHEMBL8516904 0.70 ALDH1A1 (0.46) NOS3NOS1KMT2AMEN1MAPT
SCHEMBL8516902 0.70 ALDH1A1 (0.46) NOS3NOS1KMT2AMEN1MAPT

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-5459265-A Oxonol dye FUJI PHOTO FILM CO., LTD. (JP) 1995-10-17 US disclosed