SCHEMBL7026243

SCHEMBL7026243

O=[N+]([O-])c1ccc(Cc2nnc(SCCC=C(F)F)o2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
MAPT P10636 4/20 0.46
PTK2 Q05397 2/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 3/20 0.41
TTR P02766 1/20 0.41
HPGD P15428 1/20 0.41
PIK3CD O00329 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7023336 0.82 MAPT (0.62) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL7023617 0.77 NPC1 (0.47) CYP2C19CYP1A2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL7018483 0.74 MAPT (0.49) ALDH1A1MAPTKDM4EPOLBKMT2A
SCHEMBL7023990 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL7628132 0.72 MAPT (0.46) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL9183400 0.72 RAB9A (0.46) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL7024261 0.70 MAPT (0.49) SMN1; SMN2ALDH1A1LMNARAB9ANPC1
SCHEMBL7024589 0.68 MAPT (0.33) LMNAMAPTKMT2AMEN1TSHR
SCHEMBL4833712 0.67 ALDH1A1 (0.60) CYP2C19CYP1A2CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL9166442 0.66 MAPT (0.45) CYP2C19CYP1A2SMN1; SMN2ALDH1A1LMNA

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 5 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
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