SCHEMBL876739

SCHEMBL876739

O=C(NCCc1ncc(S(=O)(=O)C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.43
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
RAF1 P04049 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL29797174 0.83 GLA (0.59) P2RX7GLAKMT2AMAPTSMN1; SMN2
SCHEMBL526160 0.83 GLA (0.59) P2RX7GLAKMT2AMAPTSMN1; SMN2
SCHEMBL6888143 0.81 POLB (0.46) P2RX7GLAKMT2ASMN1; SMN2MEN1
SCHEMBL876740 0.75 KMT2A (0.39) P2RX7KMT2AMAPTSMN1; SMN2MEN1
SCHEMBL21950 0.71 KMT2A (0.61) P2RX7GLAKMT2AMAPTSMN1; SMN2
SCHEMBL15286566 0.71 KMT2A (0.61) P2RX7GLAKMT2AMAPTSMN1; SMN2
SCHEMBL29356683 0.71 KMT2A (0.61) P2RX7GLAKMT2AMAPTSMN1; SMN2
SCHEMBL10106053 0.70 TP53 (0.48) P2RX7GLAKMT2AMAPTSMN1; SMN2
SCHEMBL727891 0.70 GLA (0.47) P2RX7GLAMAPTSMN1; SMN2POLB
SCHEMBL6901764 0.69 P2RX7 (0.40) P2RX7GLAKMT2AMAPTSMN1; SMN2

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