SCHEMBL7017964

SCHEMBL7017964

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NOTUM Q6P988 1/20 0.40
PTPN1 P18031 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 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
SCHEMBL7023105 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7020972 0.83 MAPT (0.44) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL7018663 0.83 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7150064 0.80 RAB9A (0.40) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7022757 0.78 NOTUM (0.41) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28550831 0.75 NPC1 (0.53) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL7024392 0.75
SCHEMBL16157128 0.73 HPGD (0.65) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL9188480 0.72 LMNA (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7024116 0.72 KMT2A (0.35) NPC1RAB9ASMN1; SMN2CA1CA2

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