SCHEMBL7021183

SCHEMBL7021183

[O-][S+](CCC=C(F)F)c1nnc(-c2ccccc2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.41
RAB9A P51151 10/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
NOTUM Q6P988 4/20 0.40
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
HPGD P15428 5/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
POLB P06746 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL7024884 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7019727 0.83 MAPT (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL7021754 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL7028313 0.78 NOTUM (0.41) NPC1RAB9ASMN1; SMN2NOTUMALDH1A1
SCHEMBL16157039 0.73 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NOTUMALDH1A1
SCHEMBL21041272 0.73 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NOTUMALDH1A1
SCHEMBL7104281 0.72 NPC1 (0.33) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL9181563 0.72 NPC1 (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7020997 0.71 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL8752082 0.71 AURKA (0.39) RAB9AMEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749433-B1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY SYNGENTA LTD (GB) 2003-05-07 EP disclosed
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
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP 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