SCHEMBL11838114

SCHEMBL11838114

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCN(CCCCc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.67
▸ GAA P10253 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ RAD52 P43351 1/20 0.59
▸ HTR7 P34969 2/20 0.58
▸ DRD2 P14416 2/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ HTR6 P50406 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ DRD3 P35462 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ RXFP1 Q9HBX9 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
SCHEMBL11841247 0.96 KDM4E (0.68) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL11834897 0.91 KDM4E (0.76) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL11632652 0.86 NPSR1 (0.67) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL11836334 0.85 MEN1 (0.64) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL11809050 0.85 KDM4E (0.57) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL11632801 0.85 KDM4E (0.60) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL11807610 0.84 KDM4E (0.58) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL11801164 0.82 KDM4E (0.60) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL11806115 0.82 KDM4E (0.56) KDM4EGAAALDH1A1MAPTRAB9A
SCHEMBL11807310 0.82 KDM4E (0.56) KDM4EGAAALDH1A1MAPTRAB9A

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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