SCHEMBL11841247

SCHEMBL11841247

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ GAA P10253 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ RAD52 P43351 1/20 0.60
▸ LMNA P02545 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ POLB P06746 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ DRD2 P14416 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ HTR7 P34969 1/20 0.57
▸ HTR6 P50406 1/20 0.57
▸ SIGMAR1 Q99720 1/20 0.56

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
SCHEMBL11838114 0.96 KDM4E (0.67) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11834897 0.92 KDM4E (0.76) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11836334 0.89 MEN1 (0.64) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11632652 0.87 NPSR1 (0.67) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11632801 0.86 KDM4E (0.60) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11807610 0.83 KDM4E (0.58) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL28284669 0.82 ALDH1A1 (1.00) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11809050 0.82 KDM4E (0.57) KDM4EALDH1A1GAAMAPTRAB9A
SCHEMBL11632287 0.82 HTR7 (0.70) KDM4EALDH1A1GAAMAPTRAD52
SCHEMBL11801164 0.81 KDM4E (0.60) KDM4EALDH1A1GAAMAPTRAB9A

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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