SCHEMBL5886529

SCHEMBL5886529

CN(C)CCNC(=O)c1cccc2nc3ccc4c(F)cccc4c3nc12

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.78
SMARCA2 P51531 1/20 0.60
AOX1 Q06278 1/20 0.55
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLR1A O95602 3/20 0.48
UHRF1 Q96T88 2/20 0.47
CYP1A2 P05177 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTT P42858 1/20 0.44
MOK Q9UQ07 1/20 0.43
ECE1 P42892 1/20 0.41
MUS81 Q96NY9 1/20 0.41
WNT1 P04628 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL26459020 0.89 RAD52 (0.98) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2
SCHEMBL5886272 0.88 RAD52 (0.70) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2
SCHEMBL7063204 0.87 RAD52 (0.69) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2
SCHEMBL5886244 0.86 RAD52 (0.67) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2
SCHEMBL5886330 0.84 RAD52 (0.64) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2
SCHEMBL24684963 0.81 RAD52 (0.76) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2
SCHEMBL5886543 0.81 RAD52 (0.61) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL10866187 0.81 RAD52 (0.78) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5886437 0.80 RAD52 (0.56) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2
SCHEMBL5886332 0.79 RAD52 (0.58) RAD52SMARCA2AOX1ALDH1A1SMN1; SMN2

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