SCHEMBL3637634

SCHEMBL3637634

c1ccc2c(CNc3nc(N4CCCCC4)nc4ccccc34)cccc2c1.c1ccc2c(c1)CCN(c1nc(N3CCCCC3)nc3ccccc13)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
GAA P10253 6/20 0.50
GLA P06280 5/20 0.50
HSD17B10 Q99714 5/20 0.50
HPGD P15428 4/20 0.50
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPY1R P25929 1/20 0.48
HRH4 Q9H3N8 3/20 0.47
PDE5A O76074 2/20 0.47
ACHE P22303 1/20 0.46
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 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
SCHEMBL3645121 0.86 KDM4E (0.64) KDM4EGAAGLAHSD17B10HPGD
SCHEMBL3638559 0.83 L3MBTL1 (0.72) KDM4EGAAGLAHSD17B10HPGD
SCHEMBL3637720 0.82 L3MBTL1 (0.69) KDM4EGAAGLAHSD17B10HPGD
SCHEMBL3644032 0.79 CTNNB1 (0.50) KDM4EGAAGLAHSD17B10HPGD
SCHEMBL3640302 0.79 L3MBTL1 (0.72) KDM4EGAAGLAHSD17B10HPGD
Hydrochloric Acid SCHEMBL3640232 0.78 HPGD (0.70) KDM4EGAAGLAHSD17B10HPGD
SCHEMBL3640031 0.77 PDE5A (0.69) KDM4EGAAGLAHSD17B10HPGD
SCHEMBL3675539 0.76 L3MBTL1 (0.80) KDM4EGAAGLAHSD17B10HPGD
Hydrochloric Acid SCHEMBL3670729 0.75 L3MBTL1 (0.78) KDM4EGAAGLAHSD17B10HPGD
SCHEMBL3778305 0.75 KDM4E (0.65) KDM4EGAAGLAHSD17B10HPGD

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