SCHEMBL31377968

SCHEMBL31377968

O=C(CN1CCNCCNCCNCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MAPT P10636 2/20 0.59
KCNJ1 P48048 1/20 0.52
KCNH2 Q12809 1/20 0.52
BCL9 O00512 1/20 0.51
CTNNB1 P35222 1/20 0.51
ADRB1 P08588 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
PTPN7 P35236 1/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43
MGLL Q99685 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL27730601 0.86 BCL9 (0.56) KDM4EALDH1A1TDP1MAPTBCL9
Hydrochloric Acid SCHEMBL19668393 0.85 LMNA (0.57) KDM4EALDH1A1TDP1BCL9CTNNB1
SCHEMBL21243399 0.84 BCL9 (0.54) KDM4EALDH1A1TDP1MAPTBCL9
SCHEMBL19668622 0.83 KMT2A (0.58) ALDH1A1TDP1MAPTKCNJ1BCL9
SCHEMBL9126753 0.81 KCNJ1 (0.58) KDM4EALDH1A1TDP1MAPTKCNJ1
SCHEMBL6433058 0.80 ALDH1A1 (0.52) KDM4EALDH1A1TDP1MAPTKCNJ1
SCHEMBL31584076 0.80 BCL9 (0.52) KDM4EALDH1A1TDP1MAPTKCNJ1
SCHEMBL31584081 0.80 BCL9 (0.52) KDM4EALDH1A1TDP1MAPTKCNJ1
SCHEMBL1333584 0.78 CYP1A2 (0.61) KDM4EALDH1A1TDP1MAPTMGLL
SCHEMBL27580337 0.78 POLB (0.60) KDM4EALDH1A1TDP1MAPTKCNJ1

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
CN-119684224-A DOTA-PNP preparation method 上海德浦生物医药科技有限公司 2025-03-25 CN disclosed