SCHEMBL8752020

SCHEMBL8752020

O=c1ccnc(SCCC=C(F)F)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
LMNA P02545 3/20 0.63
GPR84 Q9NQS5 1/20 0.54
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
DCTPP1 Q9H773 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 2/20 0.41
PDE3A Q14432 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
APEX1 P27695 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 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
SCHEMBL8465267 0.75 FDPS (0.46) POLBLMNA
SCHEMBL8752059 0.74 KDM6B (0.42) POLBLMNAALDH1A1GAASMN1; SMN2
SCHEMBL26063219 0.74 POLB (0.59) POLBLMNAGPR84MAPTTDP1
SCHEMBL26063160 0.74 GPR84 (0.75) POLBLMNAGPR84MAPTTDP1
SCHEMBL15574997 0.74 POLB (0.68) POLBLMNAGPR84MAPTTDP1
SCHEMBL26063032 0.72 GPR84 (0.68) POLBLMNAGPR84MAPTTDP1
SCHEMBL8751991 0.72 MEN1 (0.52) POLBGPR84ALDH1A1SMN1; SMN2HPGD
SCHEMBL5094216 0.72 GPR84 (0.88) POLBLMNAGPR84SMN1; SMN2PDE3A
SCHEMBL3464397 0.71
SCHEMBL3951972 0.71 GPR84 (0.57) POLBLMNAGPR84MAPTTDP1

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-5684011-A Pyrimidine derivatives useful as nematicides ZENECA LIMITED (GB) 1997-11-04 US disclosed
EP-0660827-B1 HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY ZENECA LTD (GB) 1997-04-16 EP disclosed
EP-0660827-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY. ZENECA LTD (GB) 1995-07-05 EP disclosed
WO-1994006777-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY ZENECA LIMITED (GB) 1994-03-31 WO disclosed