SCHEMBL6507333

SCHEMBL6507333

Cc1nc(NC(N)=Nc2ccc(Oc3ccc(Cl)cc3)cc2)nc2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.44
ACHE P22303 11/20 0.44
SLC2A1 P11166 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.37
LMNA P02545 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
SCHEMBL6511304 0.80 MAPT (0.45) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL5923412 0.80 BCHE (0.42) BCHEACHESLC2A1SMN1; SMN2KMT2A
SCHEMBL6510702 0.77 ALDH1A1 (0.48) SMN1; SMN2KMT2AMEN1MAPK1MAPT
SCHEMBL6514076 0.76 ADORA2A (0.52) BCHEACHESMN1; SMN2KMT2AMAPT
SCHEMBL6511110 0.75 SIGMAR1 (0.41) SMN1; SMN2
SCHEMBL6509392 0.73 MAPT (0.43) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL6508660 0.71 MAPK1 (0.52) SMN1; SMN2KMT2AMEN1MAPK1MAPT
SCHEMBL10501448 0.71 CYP1A2 (0.49) SMN1; SMN2KMT2AMEN1MAPK1LMNA
SCHEMBL10501444 0.71 CYP1A2 (0.49) SMN1; SMN2KMT2AMEN1MAPK1LMNA
SCHEMBL6513739 0.71 SMN1; SMN2 (0.42) ACHESMN1; SMN2KMT2AMEN1MAPT

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
WO-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed