SCHEMBL8387151

SCHEMBL8387151

COC(=O)Cc1ccc2c3ccccc3n(Cc3ccc(O)cc3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
HPGD P15428 2/20 0.65
TSHR P16473 1/20 0.65
HDAC6 Q9UBN7 5/20 0.52
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC10 Q969S8 1/20 0.49
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 2/20 0.46
P2RX4 Q99571 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP19A1 P11511 1/20 0.44
MAPK1 P28482 2/20 0.44
PLA2G2A P14555 1/20 0.44
ATM Q13315 1/20 0.44
DRD2 P14416 1/20 0.43
TBXA2R P21731 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8389013 0.90 MAPT (0.61) MAPTHPGDTSHRHDAC6HDAC3
SCHEMBL1003148 0.87 HDAC6 (0.67) MAPTHPGDTSHRHDAC6HDAC3
SCHEMBL8390943 0.87 MAPT (0.58) MAPTHPGDTSHRHDAC6HDAC3
SCHEMBL8391190 0.85 KDM4E (0.60) MAPTHPGDTSHRHDAC6HDAC3
SCHEMBL8390500 0.82 MAPT (0.58) MAPTHPGDTSHRHDAC6HDAC1
SCHEMBL8388468 0.81 MAPT (0.57) MAPTHPGDTSHRALDH1A1P2RX4
SCHEMBL14199635 0.81 P2RX4 (0.66) MAPTHPGDTSHRHDAC6HDAC3
SCHEMBL14825105 0.79 HPGD (1.00) MAPTHPGDTSHRALDH1A1GAA
SCHEMBL8387147 0.79 S1PR3 (0.51) MAPTHDAC6HDAC3HDAC1HDAC10
SCHEMBL18382517 0.78 CYP19A1 (0.70) MAPTHDAC6HDAC3HDAC1HDAC10

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
US-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 US disclosed
CN-1166169-A Heterocyclic compounds, useful as allosteric effectors at muscarinic receptors SANKYO CO (JP) 1997-11-26 CN disclosed