SCHEMBL7528263

SCHEMBL7528263

NC(=O)CNC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
KDM1A O60341 1/20 0.46
KMT2A Q03164 3/20 0.46
PPIA P62937 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2254514 0.83 MAPT (0.53) MAPTBCHEACHEKMT2APPIA
SCHEMBL9693099 0.82 KDM1A (0.44) KDM1AKMT2AMEN1ATMHSD17B10
SCHEMBL28621243 0.81 BCHE (0.51) MAPTBCHEACHEKMT2APPIA
SCHEMBL9693136 0.81 HTR2C (0.55) KDM1AKMT2AMEN1LMNAGAA
SCHEMBL7435438 0.79 BCHE (0.49) MAPTBCHEACHEKMT2APPIA
Hydrochloric Acid SCHEMBL9651566 0.77 BCHE (0.47) MAPTBCHEACHEKMT2APPIA
SCHEMBL7439749 0.75 POLB (0.50) MAPTBCHEACHEKMT2AMEN1
SCHEMBL5525117 0.75 KMT2A (0.59) MAPTKMT2APPIAHDAC3HDAC4
SCHEMBL9693126 0.74 KDM1A (0.38) KDM1A
SCHEMBL9693397 0.74 TBXAS1 (0.46) KDM1AATM

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-0777680-B1 UROKINASE RECEPTOR LIGANDS CHIRON CORP (US) 2002-03-20 EP disclosed