SCHEMBL5886580

SCHEMBL5886580

COc1cccc2c1ccc1nc3cccc(C(=O)NCCN(CCO)CCO)c3nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 5/20 0.57
SMARCA2 P51531 1/20 0.57
UHRF1 Q96T88 1/20 0.48
AOX1 Q06278 1/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLR1A O95602 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
SCN1A P35498 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL5886330 0.80 RAD52 (0.64) RAD52SMARCA2UHRF1AOX1KDM4E
SCHEMBL7066503 0.79 RAD52 (0.58) RAD52SMARCA2UHRF1AOX1MAPT
SCHEMBL29634211 0.78 RAD52 (0.85) RAD52SMARCA2UHRF1AOX1KDM4E
SCHEMBL8224795 0.78 RAD52 (0.85) RAD52SMARCA2UHRF1AOX1KDM4E
SCHEMBL5886339 0.78 RAD52 (0.45) RAD52SMARCA2UHRF1MAPTLMNA
SCHEMBL5886244 0.78 RAD52 (0.67) RAD52SMARCA2UHRF1AOX1KDM4E
SCHEMBL5886260 0.78 KMT2A (0.51) RAD52SMARCA2MAPTLMNAKDM4E
SCHEMBL5886543 0.77 RAD52 (0.61) RAD52SMARCA2UHRF1AOX1KDM4E
Hydrochloric Acid SCHEMBL10866302 0.77 RAD52 (0.87) RAD52SMARCA2UHRF1AOX1HPGD
SCHEMBL7573561 0.77 RAD52 (0.68) RAD52SMARCA2UHRF1MAPTLMNA

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-7132419-B2 Pharmaceutical compounds XENOVA LIMITED (GB) 2006-11-07 US claimed