SCHEMBL10288149

SCHEMBL10288149

C=CCC(c1ccc(Cl)c(Cl)c1)c1c(C(=O)OCC)sc(N2CCOCC2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 9/20 0.38
HPGD P15428 6/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 5/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 2/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
PIK3CA P42336 1/20 0.37
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
EGFR P00533 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10288199 0.93 LMNA (0.41) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL10288139 0.89 PIK3CA (0.38) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL10288850 0.88 LMNA (0.42) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL10006034 0.88 PIK3CA (0.42) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL10288200 0.86 SLC6A2 (0.45) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL626440 0.81 PIK3CA (0.43) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL622983 0.76 PIK3CA (0.43) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL10298538 0.76 PIK3CA (0.36) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL10006010 0.76 PIK3CA (0.51) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL10288203 0.75 SLC6A2 (0.49) LMNAALDH1A1HSD17B10GAAPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed