SCHEMBL11550624

SCHEMBL11550624

CCOC(=O)c1ccc2nc(-c3cc(OC)ccc3OCC)[nH]c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ HPGD P15428 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ GUSB P08236 3/20 0.48
▸ LMNA P02545 1/20 0.46
▸ PKN1 Q16512 1/20 0.43
▸ PKN2 Q16513 1/20 0.43
▸ PDE5A O76074 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ SIRT3 Q9NTG7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL11554058 0.91 GUSB (0.51) KDM4EHSD17B10GUSBLMNAPDE5A
SCHEMBL11555458 0.90 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL11557400 0.87 NPSR1 (0.47) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL11551327 0.86 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL11377673 0.85 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL11549969 0.83 GUSB (0.49) KDM4EHSD17B10GUSBLMNAPDE5A
SCHEMBL11556538 0.83 TSHR (0.47) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL11375840 0.82 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL11553644 0.82 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL11552844 0.82 GUSB (0.49) KDM4EALDH1A1HPGDHSD17B10GUSB

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-4159330-A ANTIALLERGENS CARLO ERBA S.P.A. (IT) 1979-06-26 — — US disclosed
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