SCHEMBL6294346

SCHEMBL6294346

C=C(C)CNc1ccccc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SIRT2 Q8IXJ6 3/20 0.49
KDM4E B2RXH2 8/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.43
MAPK8 P45983 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL3255579 0.85 KDM4E (0.63) AGTR1MEN1KMT2AKDM4ERAB9A
SCHEMBL14698798 0.82 AGTR1 (0.62) AGTR1MEN1KMT2ASIRT2KDM4E
SCHEMBL1499127 0.81 AGTR1 (0.60) AGTR1MEN1KMT2ASIRT2KDM4E
SCHEMBL8047226 0.80 KMT2A (0.56) AGTR1MEN1KMT2ASIRT2KDM4E
SCHEMBL3413963 0.80 AGTR1 (0.56) AGTR1MEN1KMT2ASIRT2KDM4E
SCHEMBL3441356 0.79 AGTR1 (0.54) AGTR1MEN1KMT2ASIRT2KDM4E
SCHEMBL24050222 0.79 AGTR1 (0.41) AGTR1MEN1KMT2AKDM4ERAB9A
SCHEMBL8943473 0.78 AGTR1 (0.57) AGTR1MEN1KMT2ASIRT2KDM4E
Hydrochloric Acid SCHEMBL5389527 0.77 AGTR1 (0.53) AGTR1MEN1KMT2ASIRT2KDM4E
SCHEMBL31326903 0.77 AGTR1 (0.60) AGTR1MEN1KMT2ASIRT2KDM4E

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-6872727-B1 Polycyclic pyrimidine -2,4(1H,3H)-diones with functionalized alkyl residues at the 1- and/or 3-position(s); methods for their synthesis and pharmaceutical preparation PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2005-03-29 US disclosed