SCHEMBL367534

SCHEMBL367534

CCCCOC(=O)c1c2ccccc2n2cc(OCC(C)S(C)(=O)=O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
STS P08842 7/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
APAF1 O14727 1/20 0.36
ALDH1A1 P00352 1/20 0.36
G6PD P11413 1/20 0.36
PABPC1 P11940 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
AGTR1 P30556 1/20 0.36
LMNA P02545 1/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL367533 0.85 ALDH1A1 (0.54) EGFRL3MBTL1TSHRTDP1STS
SCHEMBL367540 0.80 PSEN1 (0.45) EGFRL3MBTL1TSHRTDP1MAPT
SCHEMBL366945 0.78 EGFR (0.46) EGFRL3MBTL1TSHRTDP1MAPT
SCHEMBL366392 0.78 PSEN1 (0.46) EGFRL3MBTL1TSHRTDP1STS
SCHEMBL365894 0.78 TSHR (0.48) EGFRL3MBTL1TSHRTDP1MEN1
SCHEMBL364167 0.78 GABRP (0.41) EGFRSTSMAPTMEN1KMT2A
SCHEMBL366754 0.76 TSHR (0.45) EGFRL3MBTL1TSHRTDP1STS
SCHEMBL365766 0.76 STS (0.41) EGFRSTSMAPTMEN1KMT2A
SCHEMBL365132 0.76 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4EAPAF1
SCHEMBL366809 0.76 EGFR (0.39) EGFRL3MBTL1TSHRTDP1STS

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed