SCHEMBL12469236

SCHEMBL12469236

CCOC(=O)c1sc(N2CCOCC2)cc1CCCc1ccc(Cl)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 5/20 0.40
MAPT P10636 5/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
LGMN Q99538 1/20 0.38
GAA P10253 4/20 0.38
PIK3CA P42336 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
EGFR P00533 1/20 0.37
CSNK1D P48730 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL11972849 0.79 PDE3B (0.46) LMNARAB9AKDM4EALDH1A1HPGD
SCHEMBL12469238 0.76 MAPT (0.39) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL627395 0.71 PIK3CA (0.47) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12469198 0.69 FFAR2 (0.39) LMNAKDM4EALDH1A1HPGDMAPT
SCHEMBL624070 0.67 PIK3CD (0.45) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL623813 0.67 EGFR (0.43) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11997711 0.67 DGAT1 (0.40) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL626111 0.65 PIK3CD (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL3103188 0.65 CASP7 (0.48) LMNARAB9AKDM4EALDH1A1HPGD
SCHEMBL3121764 0.65 ALDH1A1 (0.57) LMNARAB9AKDM4EALDH1A1HPGD

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-2627181-A2 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-08-21 EP disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed