SCHEMBL8465253

SCHEMBL8465253

Cn1cc(-c2ccccc2)nc1S(=O)(=O)CCC=C(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
S1PR4 O95977 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
S1PR1 P21453 2/20 0.34
STAT3 P40763 2/20 0.34
STAT1 P42224 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
BRD4 O60885 1/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
CREBBP Q92793 1/20 0.34
PDE10A Q9Y233 9/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9057499 0.86 MAPT (0.36) MAPTKDM4EALDH1A1SMN1; SMN2S1PR4
SCHEMBL8752074 0.73 AURKA (0.39) MAPTKDM4ESMN1; SMN2S1PR4LMNA
SCHEMBL8463021 0.72 HPGD (0.35) MAPTALDH1A1SMN1; SMN2S1PR4LMNA
SCHEMBL8466328 0.72 PDE10A (0.49) PDE10A
SCHEMBL7024116 0.72 KMT2A (0.35) MAPTSMN1; SMN2S1PR4LMNAHPGD
SCHEMBL8466441 0.71 PDE10A (0.35) KDM4EALDH1A1BRD4PDE10ATLR8
SCHEMBL7018634 0.70 SMN1; SMN2 (0.48) MAPTALDH1A1SMN1; SMN2S1PR4LMNA
SCHEMBL8466633 0.66 RECQL (0.33) KMT2A
SCHEMBL8466939 0.66
SCHEMBL7017964 0.66 NPC1 (0.41) KDM4EALDH1A1SMN1; SMN2HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed
US-5912243-A NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS ZENECA LIMITED (GB) 1999-06-15 US disclosed
US-5705516-A NEMATOCIDES, INSECTICIDES, ACARICIDES ZENECA LIMITED (GB) 1998-01-06 US disclosed
WO-1995024403-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1995-09-14 WO disclosed