SCHEMBL9503600

SCHEMBL9503600

O=C=Nc1ccc(Sc2ccc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE7A Q13946 4/20 0.39
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE2A O00408 4/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
DDR1 Q08345 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7B Q9NP56 1/20 0.32
ICAM1 P05362 1/20 0.31
SELE P16581 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
SCHEMBL27875473 0.78 TRPA1 (0.42) MAPK1TDP1SLC6A4SLC6A2SLC6A3
SCHEMBL11265653 0.77 PDE7A (0.45) MAPK1PDE7ASLC6A4SLC6A2SLC6A3
SCHEMBL28918928 0.75 PDE2A (0.47) PDE7ASLC6A4SLC6A2SLC6A3MEN1
SCHEMBL7531828 0.75 MAPK1 (0.41) MAPK1TDP1MEN1KMT2ACYP3A4
SCHEMBL160983 0.74 CYP3A4 (0.50) MAPK1TDP1CYP3A4TSHRALDH1A1
SCHEMBL11659188 0.73 RAB9A (0.44) TDP1PDE7AMEN1KMT2APDE2A
SCHEMBL11761347 0.73 FFAR1 (0.54) MAPK1TDP1SLC6A4MEN1KMT2A
SCHEMBL29648890 0.71 PDE2A (0.41) MAPK1TDP1MEN1KMT2APDE2A
SCHEMBL162605 0.71 PDE2A (0.41) MAPK1TDP1MEN1KMT2APDE2A
SCHEMBL2789021 0.71 MAPK1 (0.56) MAPK1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318882-B1 (THIO)BENZOYL UREAS, FUNCTIONAL DERIVATIVES, PROCESS FOR THEIR PREPARATION, COMPOSITIONS AND PESTICIDAL USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-23 EP disclosed
US-4954529-A MITICIDES, INSECTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-09-04 US disclosed
EP-0318882-A2 (Thio)benzoyl ureas, functional derivatives, process for their preparation, compositions and pesticidal use HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-07 EP disclosed