SCHEMBL876740

SCHEMBL876740

CC(NC(=O)c1c(Cl)cccc1Cl)c1ncc(S(=O)(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BDKRB1 P46663 2/20 0.39
P2RX7 Q99572 3/20 0.38
TYK2 P29597 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
LMNA P02545 1/20 0.35
P2RX1 P51575 1/20 0.35
RORC P51449 3/20 0.35
MAPK1 P28482 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CG P48736 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
SCHEMBL526159 0.82 KMT2A (0.59) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL3457836 0.80 PTGER4 (0.43) KMT2AMEN1P2RX7TYK2
SCHEMBL876739 0.75 P2RX7 (0.43) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL3456624 0.70 KMT2A (0.56) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL6030604 0.70 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL6030503 0.70 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL6553866 0.68 LMNA (0.60) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL16240114 0.68 KMT2A (0.53) KMT2AMEN1SMN1; SMN2MAPTNPSR1
SCHEMBL3457566 0.68 S1PR3 (0.40) KMT2AMEN1BDKRB1
SCHEMBL6031138 0.68 MEN1 (0.41) KMT2AMEN1TYK2

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-2618667-A2 USE OF BIOLOGICAL OR CHEMICAL CONTROL AGENTS FOR CONTROLLING INSECTS AND NEMATODES IN RESISTANT CROPS Bayer Intellectual Property GmbH (DE) 2013-07-31 EP disclosed
WO-2012038480-A2 USE OF BIOLOGICAL OR CHEMICAL CONTROL AGENTS FOR CONTROLLING INSECTS AND NEMATODES IN RESISTANT CROPS BAYER CROPSCIENCE AG (DE) 2012-03-29 WO disclosed