SCHEMBL28436430

SCHEMBL28436430

CC1=NN(c2ccc(C)cc2)C(C=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PRKCZ Q05513 1/20 0.38
▸ PDE5A O76074 1/20 0.37
▸ TERT O14746 4/20 0.37
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ GAA P10253 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CTSG P08311 1/20 0.33
▸ CMA1 P23946 1/20 0.33
▸ CTRC Q99895 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL27712033 0.87 MAPT (0.38) MAPTALDH1A1HTTSMN1; SMN2PRKCZ
SCHEMBL28433432 0.87 MAPT (0.38) MAPTALDH1A1HTTSMN1; SMN2PRKCZ
SCHEMBL27369841 0.87 ALDH1A1 (0.43) MAPTALDH1A1HTTSMN1; SMN2PRKCZ
SCHEMBL28158503 0.85 TERT (0.35) MAPTALDH1A1HTTSMN1; SMN2TERT
SCHEMBL29018666 0.84 NR3C2 (0.41) MAPTALDH1A1HTTSMN1; SMN2ELANE
SCHEMBL28207258 0.83 TSHR (0.36) MAPTALDH1A1HTTSMN1; SMN2GAA
SCHEMBL28897005 0.78 HSD17B10 (0.41) MAPTALDH1A1HTTSMN1; SMN2TERT
SCHEMBL27692022 0.77 PRKCZ (0.45) ALDH1A1HTTSMN1; SMN2PRKCZGAA
SCHEMBL27778006 0.76 EGFR (0.55) MAPTALDH1A1SMN1; SMN2CA1CA2
SCHEMBL20663324 0.75 PRKCZ (0.41) MAPTALDH1A1HTTSMN1; SMN2PRKCZ

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
CN-111440181-A Dipyrazolo seven-membered oxygen heterocyclic compound containing quinoline structure and synthetic method thereof 烟台大学 2020-07-24 — — CN disclosed
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