SCHEMBL8752016

SCHEMBL8752016

O=Cc1ccnc(SCCC=C(F)F)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL5928189 0.81 ALDH1A1 (0.33) NPSR1L3MBTL1ALOX15KMT2AALDH1A1
SCHEMBL8752023 0.81 ALDH1A1 (0.41) NPSR1L3MBTL1ALOX15KMT2AALDH1A1
SCHEMBL5928298 0.79 NPSR1 (0.35) NPSR1L3MBTL1ALOX15KMT2AALDH1A1
SCHEMBL8752043 0.79 ALOX15 (0.51) ALOX15KMT2AALDH1A1LMNAPOLB
SCHEMBL8752094 0.79 KMT2A (0.40) ALOX15KMT2AALDH1A1HPGDPOLB
SCHEMBL8752079 0.79 ALOX15 (0.38) L3MBTL1ALOX15KMT2AALDH1A1HPGD
SCHEMBL4109091 0.77 HASPIN (0.37) NPSR1L3MBTL1ALOX15KMT2AALDH1A1
SCHEMBL719258 0.76 RAB9A (0.41) NPSR1L3MBTL1KMT2AALDH1A1HPGD
SCHEMBL8751982 0.76 NPC1 (0.31) NPSR1ALOX15KMT2AALDH1A1HPGD
SCHEMBL7630476 0.76 SLC22A12 (0.33) NPSR1L3MBTL1ALOX15

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