SCHEMBL9133335

SCHEMBL9133335

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KCNH2 Q12809 2/20 0.50
▸ CACNA1F O60840 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CACNA1D Q01668 1/20 0.50
▸ CACNA1S Q13698 1/20 0.50
▸ CACNA1C Q13936 1/20 0.50
▸ GSK3B P49841 11/20 0.43
▸ TOP2A P11388 2/20 0.41
▸ TOP2B Q02880 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL9136774 0.92 MEN1 (0.63) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9694375 0.89 MEN1 (0.40) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL8851601 0.88 MEN1 (0.51) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9137467 0.86 MEN1 (0.48) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9145290 0.85 MEN1 (0.47) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9136070 0.84 ALDH1A1 (0.51) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL9146734 0.83 KCNH2 (0.47) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9694860 0.81 MEN1 (0.48) MEN1KMT2AKCNH2CACNA1FPOLB
SCHEMBL9136074 0.80 ALDH1A1 (0.60) MEN1KMT2AKCNH2POLBTOP2A
Hydrochloric Acid SCHEMBL9139082 0.79 ALDH1A1 (0.59) MEN1KMT2AKCNH2POLBTOP2A

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-5464796-A Bactericides and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-11-07 — — US disclosed
EP-0520240-A1 7-Isoindolinyl-quinolone and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1992-12-30 — — EP disclosed
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