SCHEMBL9842340

SCHEMBL9842340

COCN1C(=O)COc2cc(F)c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
BRD4 O60885 1/20 0.35
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
RORC P51449 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL39263 0.85 CHRM1 (0.35) CHRM1BRD4CHRM5CHRM3RORC
SCHEMBL12188290 0.84 HTR1A (0.37) CHRM1
SCHEMBL9728989 0.80 BRD4 (0.47) CHRM1BRD4TSHRKDM4EMAPT
SCHEMBL9427952 0.78 CHRM1 (0.40) CHRM1BRD4CHRM5CHRM3RORC
SCHEMBL9478242 0.75 KMO (0.32) CHRM1BRD4TSHR
SCHEMBL8986639 0.74 CHRM1 (0.39) CHRM1BRD4CHRM5CHRM3RORC
SCHEMBL7563867 0.74 NR3C2 (0.39) TP53MAPTPOLB
SCHEMBL9032890 0.74 CHRM1 (0.32) CHRM1RORC
SCHEMBL8914465 0.72 BCAT1 (0.37)
SCHEMBL9385393 0.72 ALDH1A1 (0.35) CHRM1BRD4CHRM5CHRM3KDM4E

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
EP-0420194-A2 Uracil derivatives and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-03 EP disclosed