SCHEMBL8752002

SCHEMBL8752002

COC(OC)c1ccnc(SCCC=C(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 5/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.35
ALOX15 P16050 1/20 0.33
NPC1 O15118 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8751995 0.80 SMN1; SMN2 (0.35) SMN1; SMN2KMT2ARAB9AMAPTALOX15
SCHEMBL4973497 0.79 L3MBTL1 (0.58) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL8752035 0.79 KMT2A (0.38) SMN1; SMN2KMT2ARAB9AMAPTALOX15
SCHEMBL16815410 0.78 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL8752043 0.78 ALOX15 (0.51) SMN1; SMN2KMT2ARAB9AMAPTALOX15
SCHEMBL8752080 0.77 ALOX15 (0.31) KMT2AALOX15
SCHEMBL8752023 0.76 ALDH1A1 (0.41) L3MBTL1KMT2ARAB9AMAPTALOX15
SCHEMBL5928189 0.76 ALDH1A1 (0.33) L3MBTL1KMT2AALOX15NPSR1ALDH1A1
SCHEMBL8752048 0.76 MAPK1 (0.32) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT
SCHEMBL16815611 0.76 L3MBTL1 (0.54) L3MBTL1SMN1; SMN2KMT2ARAB9AMAPT

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