SCHEMBL20043780

SCHEMBL20043780

Cc1cc(C)c(S(C)(=O)=O)c(C)c1Nc1ccc(Nc2c(C)cc(C)c(S(=O)(=O)O)c2C)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
NSD2 O96028 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 2/20 0.42
RECQL P46063 2/20 0.42
P2RY1 P47900 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GNG2 P59768 3/20 0.38
GNB1 P62873 3/20 0.38
CYP1A2 P05177 3/20 0.37
LMNA P02545 1/20 0.37
CYP2C19 P33261 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
SCHEMBL8947711 0.95 MAPK1 (0.46) MAPK1MEN1NSD2ALDH1A1POLB
SCHEMBL25851919 0.91 MAPK1 (0.53) MAPK1MEN1NSD2ALDH1A1POLB
SCHEMBL9445905 0.85 ELANE (0.44) MAPK1MEN1NSD2ALDH1A1POLB
SCHEMBL30887179 0.83 MEN1 (0.46) MAPK1MEN1NSD2ALDH1A1POLB
SCHEMBL7740603 0.83 MEN1 (0.46) MAPK1MEN1NSD2ALDH1A1POLB
SCHEMBL9844573 0.82 GNG2 (0.61) MAPK1MEN1NSD2ALDH1A1POLB
SCHEMBL29356228 0.81 P2RY1 (0.55) MAPK1MEN1NSD2ALDH1A1POLB
SCHEMBL341554 0.81 P2RY1 (0.55) MAPK1MEN1NSD2ALDH1A1POLB
SCHEMBL30371545 0.81 GNG2 (0.60) MAPK1MEN1NSD2ALDH1A1POLB
SCHEMBL15452097 0.81 CXCR2 (0.46) MAPK1MEN1NSD2ALDH1A1POLB

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
US-20180100124-A1 PEG-CONTAINING FRAGRANCED PASTILLE FOR LAUNDRY APPLICATION Henkel IP & Holding GmbH (DE) 2018-04-12 US disclosed