SCHEMBL3837474

SCHEMBL3837474

O=C=Nc1c(F)cc(Br)cc1Br.O=C=Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
KMT2A Q03164 1/20 0.33
KDR P35968 1/20 0.32
PYCR1 P32322 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
SCHEMBL58303 0.82 MAPK1 (0.61) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL29397209 0.82 MAPK1 (0.61) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL1457283 0.77 GABRA1 (0.31) TDP1
SCHEMBL281622 0.73 MAPK1 (0.43) MAPK1TDP1HTR3EHTR3BHTR3A
Tetrahydrofuran SCHEMBL28279164 0.72 MAPK1 (0.49) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL29648906 0.71 MAPK1 (0.44) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL60206 0.71 MAPK1 (0.44) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL8593598 0.71 MAPK1 (0.47) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL9859233 0.70 MAPK1 (0.43) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL856525 0.70 MAPK1 (0.61) MAPK1TDP1HTR3EHTR3BHTR3A

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-2111443-A2 BENEFIT AGENT DELIVERY COMPOSITIONS The Procter and Gamble Company (US) 2009-10-28 EP disclosed
US-20080200363-A1 Perfumes, brighteners, insect repellants, flavors, vitamins, fabric softeners, skin care agents; increasing potency, reducing cost PROECTER & GAMBLE COMPANY, THE 2008-08-21 US disclosed
WO-2008100601-A2 BENEFIT AGENT DELIVERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2008-08-21 WO disclosed