SCHEMBL10575643

SCHEMBL10575643

CCC1CN(c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)CC1N

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
KCNH2 Q12809 5/20 0.61
POLB P06746 2/20 0.61
CACNA1F O60840 1/20 0.61
MAPK1 P28482 1/20 0.61
CACNA1D Q01668 1/20 0.61
CACNA1S Q13698 1/20 0.61
CACNA1C Q13936 1/20 0.61
TOP2A P11388 2/20 0.51
TOP2B Q02880 2/20 0.51
GSK3B P49841 9/20 0.48
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL10575453 0.92 CACNA1F (0.70) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10575458 0.92 CACNA1F (0.70) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10575464 0.92 CACNA1F (0.70) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10576276 0.92 MEN1 (0.68) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10576841 0.92 MEN1 (0.68) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10576849 0.92 MEN1 (0.68) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10574509 0.87 MEN1 (0.76) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10576655 0.87 MEN1 (0.76) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10574513 0.87 MEN1 (0.76) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL10578742 0.87 MEN1 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4886810-A ANTIBACTERIAL DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0242789-A2 Novel quinoline derivates and processes for preparation thereof Dainippon Pharmaceutical Co., Ltd. (JP) 1987-10-28 EP disclosed