SCHEMBL9598201

SCHEMBL9598201

C#CCN1C(=O)COc2cc(F)c(-n3cc(C)c(C(F)(F)F)cc3=O)cc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
RORC P51449 1/20 0.35
CHRM1 P11229 2/20 0.34
CMA1 P23946 1/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 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
SCHEMBL9599063 0.88 CHRM1 (0.33) CHRM1TSHR
SCHEMBL4682695 0.82 CHRM1 (0.34) BRD4RORCCHRM1POLBTSHR
SCHEMBL9597908 0.81 TP53 (0.36) CHRM1CHRM5CHRM3
SCHEMBL4677641 0.79 CHRM1 (0.32) BRD4RORCCHRM1CMA1POLB
SCHEMBL8960319 0.78 RORC (0.32) BRD4RORCCHRM1POLBTSHR
SCHEMBL39263 0.78 CHRM1 (0.35) BRD4RORCCHRM1CHRM5CHRM3
SCHEMBL9427475 0.77 BCAT1 (0.41)
SCHEMBL15779803 0.76 CHRM1 (0.37) BRD4CHRM1POLBTSHRHTT
SCHEMBL9843931 0.75 CHRM1 (0.35) RORCCHRM1POLBTSHRHTT
SCHEMBL9477928 0.75 CHRM1 (0.37) CHRM1CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238906-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-24 US claimed
EP-0488220-A2 Pyridone derivatives, and their production and use SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-06-03 EP claimed
US-5238906-A Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-08-24 US disclosed
EP-0488220-A2 Pyridone derivatives, and their production and use SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-06-03 EP disclosed