SCHEMBL3645176

SCHEMBL3645176

Clc1cccc(CNc2nc(N3CCCCC3)nc3ccccc23)c1.FC(F)(F)c1ccccc1CNc1nc(N2CCCCC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
APP P05067 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PDE5A O76074 3/20 0.50
HRH4 Q9H3N8 2/20 0.50
HTR3A P46098 1/20 0.50
USP1 O94782 3/20 0.49
WDR48 Q8TAF3 3/20 0.49
GLA P06280 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTNNB1 P35222 3/20 0.47

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
SCHEMBL3639152 0.89 KDM4E (0.59) KDM4EMAPTMAPK1NPSR1PDE5A
SCHEMBL3637905 0.89 APP (0.63) KDM4EAPPMAPTMAPK1NPSR1
SCHEMBL3645645 0.82 APP (0.65) KDM4EAPPMAPTMAPK1NPSR1
SCHEMBL3640774 0.79 APP (0.63) KDM4EAPPMAPTMAPK1NPSR1
SCHEMBL3639211 0.78 PDE5A (0.77) KDM4EMAPTMAPK1NPSR1PDE5A
SCHEMBL2592377 0.78 PDE5A (0.77) KDM4EMAPTMAPK1NPSR1PDE5A
SCHEMBL3643018 0.78 KDM4E (0.58) KDM4EMAPTMAPK1NPSR1PDE5A
SCHEMBL3641147 0.78 KDM4E (0.62) KDM4EMAPTMAPK1NPSR1PDE5A
SCHEMBL3644267 0.78 KDM4E (0.66) KDM4EAPPMAPTMAPK1NPSR1
SCHEMBL3644786 0.78 PDE5A (0.53) KDM4EMAPTMAPK1NPSR1PDE5A

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-2173346-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS Summit Corporation Plc (GB) 2010-04-14 EP disclosed
WO-2009001060-A2 USE OF COMPOUNDS FOR PREPARING ANTI-TUBERCULOSIS AGENTS SUMMIT CORPORATION PLC (GB) 2008-12-31 WO disclosed