SCHEMBL8441802

SCHEMBL8441802

O=C(NOc1cccc(C(F)(F)F)c1)c1ccccn1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.62
BRAF P15056 1/20 0.50
GRM4 Q14833 5/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.47
P2RY1 P47900 2/20 0.47
CES1 P23141 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL30360592 0.79 KMT2A (0.71) TLR7BRAFGRM4MAPTCES1
SCHEMBL28290705 0.79 KMT2A (0.71) TLR7BRAFGRM4MAPTCES1
SCHEMBL27711530 0.75 HDAC1 (0.52) TLR7GRM4KDM4EMAPT
SCHEMBL28871752 0.75 TLR7 (0.70) TLR7BRAFGRM4MAPTCES1
SCHEMBL27930549 0.75 PTGS1 (0.56) TLR7GRM4KDM4EMAPTKMT2A
SCHEMBL28102321 0.73 TLR7 (0.56) TLR7GRM4KDM4EMAPTCES1
SCHEMBL17895178 0.73 TLR7 (0.60) TLR7BRAFGRM4CES1KMT2A
SCHEMBL30416650 0.73 HDAC3 (0.63) TLR7BRAFGRM4KDM4EMAPT
SCHEMBL28162063 0.72 TLR7 (0.54) TLR7GRM4KDM4EKMT2A
SCHEMBL3879401 0.71 KDM4E (0.51) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5900484-A FROM HETEROAROMATIC HALOGEN COMPOUNDS AND AROMATIC AMINES AND CARBON MONOXIDE WITH PALLADIUM PHOSPHINE COMPLEX LONZA AG (CH) 1999-05-04 US disclosed