SCHEMBL8466902

SCHEMBL8466902

CCOC(=O)c1cn(C)c(SCCC=C(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
GABRA2 P47869 5/20 0.38
GABRB2 P47870 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL8466166 0.78 CYP1A2 (0.39) GAAGABRA2GABRB2KDM4EALDH1A1
SCHEMBL8463211 0.78 PDE10A (0.30)
SCHEMBL5041765 0.76 CYP1A2 (0.47) GAAGABRA2GABRB2KDM4EALDH1A1
SCHEMBL8466318 0.76 SMN1; SMN2 (0.46) POLBLMNASMN1; SMN2RAB9ANPC1
SCHEMBL8464878 0.76 GAA (0.38) GAAGABRA2GABRB2KDM4EALDH1A1
SCHEMBL7019281 0.76 RAB9A (0.49) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL8463240 0.74 GAA (0.37) GAAGABRA2GABRB2KDM4EALDH1A1
SCHEMBL9044890 0.73 KDM4E (0.36) KDM4EALDH1A1HPGDCYP1A2SMN1; SMN2
SCHEMBL23053066 0.71 GAA (0.42) GAAGABRA2GABRB2KDM4EALDH1A1
SCHEMBL18785383 0.71 GABRA2 (0.49) GAAGABRA2GABRB2KDM4EALDH1A1

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