SCHEMBL9231698

SCHEMBL9231698

C=Cc1c(F)c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)c2c1c(=O)c(OC(=O)O)cn2C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KCNH2 Q12809 5/20 0.39
▸ POLB P06746 2/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CACNA1D Q01668 1/20 0.39
▸ CACNA1S Q13698 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ PRKD3 O94806 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GSK3B P49841 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
SCHEMBL9411085 0.90 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL9411007 0.89 KDM4E (0.57) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6211264 0.88 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8851978 0.88 ALDH1A1 (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8852505 0.88 ALDH1A1 (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8851982 0.88 ALDH1A1 (0.60) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL9411016 0.87 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9233385 0.86 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8804629 0.85 KDM4E (0.62) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9232892 0.84 KMT2A (0.43) MEN1KMT2AKDM4EALDH1A1HPGD

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-0671391-A1 5-Vinyl- and 5-ethinyl-quinolinone- and -naphthyridone-carboxylic acids BAYER AG (DE) 1995-09-13 — — EP claimed
EP-0671391-A1 5-Vinyl- and 5-ethinyl-quinolinone- and -naphthyridone-carboxylic acids BAYER AG (DE) 1995-09-13 — — EP disclosed
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