SCHEMBL9044878

SCHEMBL9044878

CCOC(=O)c1c(-c2ccccc2)n[nH]c1SCCC=C(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
ADORA3 P0DMS8 9/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 4/20 0.39
MGAM O43451 1/20 0.39

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
SCHEMBL9044862 0.82 PDE4D (0.51) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA
SCHEMBL11269746 0.74 HPGDS (0.61) HPGDSADORA3SMN1; SMN2KDM4ENPC1
SCHEMBL8751988 0.74 ALDH1A1 (0.57) SMN1; SMN2KDM4ENPC1ALDH1A1LMNA
SCHEMBL1969117 0.72 HPGDS (0.59) HPGDSADORA3SMN1; SMN2KDM4ENPC1
SCHEMBL9046330 0.72 PDE4D (0.33)
SCHEMBL3263722 0.71 HPGDS (0.57) HPGDSADORA3SMN1; SMN2KDM4ENPC1
SCHEMBL10924593 0.70 HPGDS (0.56) HPGDSADORA3SMN1; SMN2KDM4ENPC1
SCHEMBL3847496 0.70 HPGDS (0.60) HPGDSADORA3SMN1; SMN2KDM4ENPC1
SCHEMBL17279852 0.70 HPGDS (0.60) HPGDSADORA3SMN1; SMN2KDM4ENPC1
SCHEMBL10172532 0.68 HPGDS (0.60) HPGDSADORA3SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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