SCHEMBL8322607

SCHEMBL8322607

COc1ccccc1Cn1c(=O)c2ccccc2c2nn(-c3ccc(C(F)(F)F)cc3)c(O)c21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
PRNP P04156 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
THRB P10828 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
EPHX2 P34913 1/20 0.38
EDNRB P24530 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL8324351 0.85 MAPT (0.46) MEN1KMT2AKDM4ETDP1MAPT
SCHEMBL8320581 0.77 NPSR1 (0.48) MEN1KMT2AADORA3KDM4ENPSR1
SCHEMBL8322601 0.73 NPSR1 (0.41) MEN1KMT2AADORA3KDM4ENPSR1
SCHEMBL8460257 0.71 NPSR1 (0.46) ADORA3KDM4ENPSR1MAPTALDH1A1
SCHEMBL8462289 0.71 MAPT (0.47) ADORA3KDM4ENPSR1MAPTTRPV1
SCHEMBL8321791 0.69 L3MBTL1 (0.39) ADORA3KDM4ENPSR1TDP1MAPT
SCHEMBL8466205 0.67 ACP1 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8522571 0.67 ADORA3 (0.47) ADORA3KDM4ENPSR1MAPTTRPV1
SCHEMBL8328108 0.66 MAPT (0.40) ADORA3KDM4ENPSR1MAPTTRPV1
Water SCHEMBL8326580 0.65 MAPT (0.38) ADORA3KDM4ENPSR1MAPTTRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP disclosed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO disclosed