SCHEMBL7019909

SCHEMBL7019909

COc1ccccc1-c1nnc(SCCC=C(F)F)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
KMT2A Q03164 1/20 0.60
GLA P06280 2/20 0.56
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.54
THRB P10828 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 3/20 0.53
USP2 O75604 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
STAT3 P40763 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL7023101 0.84 NPC1 (0.57) EGFRALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7025544 0.79 NPSR1 (0.56) EGFRKMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL7020889 0.79 NPC1 (0.62) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL16157038 0.75 EGFR (1.00) EGFRKMT2AGLAALDH1A1SMN1; SMN2
SCHEMBL7028750 0.73 RAB9A (0.55) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL9184854 0.73 PTGS2 (0.39) KMT2AALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL7025420 0.73 GSK3B (0.58) GLAALDH1A1SMN1; SMN2NPC1MAPK1
SCHEMBL7018673 0.72 HSD17B10 (0.60) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL16157148 0.71 EGFR (0.70) EGFRKMT2AGLAALDH1A1SMN1; SMN2
SCHEMBL7019603 0.71 POLB (0.57) EGFRKMT2AGLAALDH1A1SMN1; SMN2

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