SCHEMBL11264083

SCHEMBL11264083

COC(=O)C1CCc2ccc3ccccc3c2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 7/20 0.42
▸ NFKB2 Q00653 7/20 0.42
▸ RELA Q04206 7/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HIF1A Q16665 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
SCHEMBL21358235 0.83 CYP1A2 (0.47) NFKB1NFKB2RELAMEN1KMT2A
Hydrochloric Acid SCHEMBL14741343 0.82 CYP1A2 (0.46) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL21359924 0.82 MEN1 (0.41) NFKB1NFKB2RELAMEN1KMT2A
SCHEMBL4974159 0.76 ACHE (0.38) KMT2AKDM4EHSD17B10CYP1A2CYP2D6
SCHEMBL30358013 0.76 HTR1A (0.47) CYP1A2CYP2C9MAPTALOX15
SCHEMBL8567081 0.75 SMYD3 (0.56) MEN1KMT2AKDM4EHSD17B10CYP1A2
SCHEMBL30357995 0.75 SMYD3 (0.56) MEN1KMT2AKDM4EHSD17B10CYP1A2
SCHEMBL7433964 0.75 SMYD3 (0.56) MEN1KMT2AKDM4EHSD17B10CYP1A2
SCHEMBL926907 0.75 SMYD3 (0.56) MEN1KMT2AKDM4EHSD17B10CYP1A2
SCHEMBL6740937 0.74 ADRA2A (0.38) NFKB1NFKB2RELAKDM4EHSD17B10

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-4328230-A N-Substituted-quinolin-4-one-2-carboxic acid derivatives FISONS LIMITED (GB) 1982-05-04 — — US disclosed
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