SCHEMBL18544196

SCHEMBL18544196

O=S(=O)(O)c1ccccc1CC1CC2C=CC1C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.42
TDP1 Q9NUW8 3/20 0.42
PKM P14618 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.33
MYC P01106 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL18544206 0.81 KDM4E (0.39) KDM4ETDP1PKMMEN1KMT2A
SCHEMBL21827130 0.77 KDM4E (0.45) KDM4ETDP1PKMMEN1KMT2A
SCHEMBL9792901 0.73 KDM4E (0.44) KDM4ETDP1PKMMEN1KMT2A
SCHEMBL18587062 0.72 KDM4E (0.44) KDM4ETDP1PKMMEN1KMT2A
SCHEMBL8078639 0.72 MYC (0.40) MEN1KMT2AALDH1A1TSHRCYP2C19
SCHEMBL106226 0.70 KDM4E (0.51) KDM4ETDP1PKMMEN1KMT2A
SCHEMBL3291382 0.69 KDM4E (0.43) KDM4ETDP1PKMMEN1KMT2A
SCHEMBL3800052 0.69 CTSB (0.46) KDM4ETDP1PKMALDH1A1TSHR
SCHEMBL21525767 0.68 ERN1 (0.40) KDM4ETDP1PKMMEN1KMT2A
SCHEMBL13259889 0.68 KDM4E (0.43) KDM4ETDP1PKMMEN1KMT2A

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
EP-3135704-A1 USE OF CERTAIN POLYMERS AS CHARGE STORAGE Evonik Degussa GmbH (DE) 2017-03-01 EP disclosed