SCHEMBL11834897

SCHEMBL11834897

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(CCc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.76
▸ ALDH1A1 P00352 5/20 0.76
▸ MAPT P10636 5/20 0.76
▸ RAB9A P51151 3/20 0.76
▸ GAA P10253 2/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ RAD52 P43351 1/20 0.63
▸ LMNA P02545 4/20 0.62
▸ TP53 P04637 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ ADRA1D P25100 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ ADRA1B P35368 1/20 0.60
▸ POLB P06746 2/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.58
▸ HPGD P15428 2/20 0.56
▸ AHR P35869 1/20 0.55

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
SCHEMBL11841247 0.92 KDM4E (0.68) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL11838114 0.91 KDM4E (0.67) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL11632652 0.89 NPSR1 (0.67) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL11848412 0.88 KDM4E (0.68) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL28284669 0.87 ALDH1A1 (1.00) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL11632287 0.84 HTR7 (0.70) KDM4EALDH1A1MAPTGAARAD52
SCHEMBL11632801 0.83 KDM4E (0.60) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL11803997 0.82 ALDH1A1 (0.58) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL11623083 0.82 HEXA (0.74) KDM4EALDH1A1MAPTRAB9AGAA
SCHEMBL6272682 0.81 MAPT (0.73) KDM4EALDH1A1MAPTRAB9AGAA

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-3940397-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1976-02-24 — — US disclosed
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