SCHEMBL8602191

SCHEMBL8602191

CC#CCN1C(=O)COc2cc(F)c(N=C=S)cc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.37
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
PTAFR P25105 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
PLK1 P53350 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8598841 0.86 CHRM1 (0.36) CHRM1POLBTSHRHTTCHRM5
SCHEMBL8603544 0.82 CHRM1 (0.48) CHRM1POLBCHRM5CHRM3
SCHEMBL8600602 0.81 CHRM1 (0.47) CHRM1POLBCHRM5CHRM3
SCHEMBL8602494 0.81 CHRM1 (0.37) CHRM1POLBTSHRHTTCHRM5
SCHEMBL8598735 0.81 CHRM1 (0.37) CHRM1POLBTSHRHTTCHRM5
SCHEMBL8599276 0.81 HTT (0.39) CHRM1POLBTSHRHTTPLK1
SCHEMBL8598727 0.81 CHRM1 (0.37) CHRM1POLBTSHRHTTCHRM5
SCHEMBL8653570 0.81 CHRM1 (0.43) CHRM1HTTCHRM5CHRM3
SCHEMBL8600865 0.81 CHRM1 (0.36) CHRM1POLBTSHRHTTCHRM5
SCHEMBL8603598 0.81 CHRM1 (0.38) CHRM1POLBTSHRHTTCHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626370-B1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL CO (JP) 1998-02-11 EP disclosed
EP-0626370-A1 Process for producing aromatic isothiocyanate derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1994-11-30 EP disclosed