SCHEMBL9145290

SCHEMBL9145290

CNC1C=CCC2CN(c3cc(F)c4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)CC21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KCNH2 Q12809 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ CACNA1F O60840 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CACNA1D Q01668 1/20 0.44
▸ CACNA1S Q13698 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ GSK3B P49841 6/20 0.43
▸ TOP2A P11388 5/20 0.43
▸ TOP2B Q02880 5/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38

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
SCHEMBL9146734 0.92 KCNH2 (0.47) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9416448 0.89 MEN1 (0.35) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9145961 0.88 MEN1 (0.46) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9146524 0.87 MEN1 (0.49) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9136774 0.87 MEN1 (0.63) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9133335 0.85 MEN1 (0.53) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9136070 0.84 ALDH1A1 (0.51) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL8851601 0.83 MEN1 (0.51) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9137467 0.82 MEN1 (0.48) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9416431 0.81 KCNH2 (0.36) MEN1KMT2AKCNH2POLBCACNA1F

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-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 — — US disclosed
Send feedback