SCHEMBL11837583

SCHEMBL11837583

COc1cc(CN2CCN(CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 3/20 0.69
▸ KDM4E B2RXH2 3/20 0.62
▸ POLB P06746 2/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ HTR1A P08908 2/20 0.60
▸ DRD2 P14416 2/20 0.60
▸ HTR2A P28223 2/20 0.60
▸ HTR6 P50406 2/20 0.60
▸ HTR7 P34969 1/20 0.60
▸ KMT2A Q03164 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ HEXA P06865 1/20 0.55
▸ HEXB P07686 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ MEN1 O00255 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
SCHEMBL11632652 0.82 NPSR1 (0.67) RAD52KDM4EPOLBALDH1A1LMNA
SCHEMBL11633309 0.81 RAD52 (0.49) RAD52KDM4EPOLBALDH1A1HTR1A
SCHEMBL11434790 0.81 RAD52 (1.00) RAD52KDM4EPOLBALDH1A1HTR1A
SCHEMBL11631571 0.81 HTR1A (0.85) RAD52KDM4EPOLBALDH1A1HTR1A
SCHEMBL11830608 0.79 KDM4E (0.59) RAD52KDM4EPOLBALDH1A1HTR1A
SCHEMBL11838190 0.76 HTR1A (0.54) RAD52KDM4EPOLBALDH1A1HTR1A
SCHEMBL11632693 0.75 DRD2 (0.88) KDM4EALDH1A1HTR1ADRD2HTR2A
SCHEMBL11623083 0.75 HEXA (0.74) RAD52KDM4EPOLBALDH1A1KMT2A
SCHEMBL6272682 0.75 MAPT (0.73) RAD52KDM4EPOLBALDH1A1KMT2A
SCHEMBL11834897 0.74 KDM4E (0.76) RAD52KDM4EPOLBALDH1A1KMT2A

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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