SCHEMBL8930758

SCHEMBL8930758

O=C(O)CN1CCN(CC(=O)O)CCN(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCN(CC(=O)O)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ KCNJ1 P48048 2/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HTT P42858 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ NR2F2 P24468 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL8930591 0.82 SIGMAR1 (0.48) SIGMAR1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8034304 0.80 KDM4E (0.65) ALDH1A1KDM4EKCNJ1LMNAL3MBTL1
SCHEMBL9610816 0.80 KDM4E (0.65) ALDH1A1KDM4EKCNJ1LMNAL3MBTL1
SCHEMBL7158186 0.79 PRMT5 (0.49) SIGMAR1ALDH1A1KDM4EKCNJ1KCNH2
SCHEMBL8509511 0.78 KCNJ1 (0.77) SIGMAR1KCNJ1KCNH2
SCHEMBL8715859 0.78 KCNJ1 (0.77) SIGMAR1KCNJ1KCNH2
SCHEMBL4582800 0.78 TSHR (0.53) ALDH1A1KDM4EKCNJ1KCNH2LMNA
SCHEMBL16364782 0.78 TSHR (0.53) ALDH1A1KDM4EKCNJ1KCNH2LMNA
SCHEMBL9612255 0.77 CA2 (0.51) ALDH1A1KDM4ELMNAHTTL3MBTL1
SCHEMBL15709381 0.77 KDM4E (0.47) SIGMAR1ALDH1A1KDM4EKCNJ1KCNH2

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
WO-1997014443-A1 MAGNETICALLY LABELED CHEMOATTRACTANTS AS TARGETED CONTRAST AGENTS IN THE NMR IMAGING OF LIVING TISSUES BRACCO INTERNATIONAL B.V. (NL) 1997-04-24 — — WO disclosed
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