SCHEMBL9694375

SCHEMBL9694375

CNC1C=CCC2CN(c3c(F)c(Br)c4c(=O)c(OC(=O)O)cn(C5CC5)c4c3F)CC21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KCNH2 Q12809 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ CACNA1F O60840 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CACNA1D Q01668 1/20 0.38
▸ CACNA1S Q13698 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ TOP2A P11388 1/20 0.31
▸ TOP2B Q02880 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ OPRM1 P35372 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
SCHEMBL9694860 0.93 MEN1 (0.48) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9133335 0.89 MEN1 (0.53) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9234517 0.88 MEN1 (0.39) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9694117 0.87 MEN1 (0.36) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9416448 0.86 MEN1 (0.35) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9694116 0.85 KDM4E (0.43) MEN1KMT2AKCNH2POLBKDM4E
SCHEMBL9416431 0.84 KCNH2 (0.36) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9694526 0.83 KDM4E (0.36) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL9692946 0.81 ALDH1A1 (0.49) MEN1KMT2AKCNH2POLBKDM4E
SCHEMBL9136774 0.81 MEN1 (0.63) 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
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 — — EP disclosed
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