SCHEMBL6852082

SCHEMBL6852082

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 4/20 0.46
KCNH2 Q12809 3/20 0.46
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
NR2F2 P24468 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
FOLH1 Q04609 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.41
CCR2 P41597 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL25271966 1.00 KCNJ1 (0.46) KCNJ1KCNH2LMNAKDM4ENPC1
SCHEMBL3420319 1.00 KCNJ1 (0.46) KCNJ1KCNH2LMNAKDM4ENPC1
SCHEMBL31539506 1.00 KCNJ1 (0.46) KCNJ1KCNH2LMNAKDM4ENPC1
Hydrochloric Acid SCHEMBL30287913 0.99 KCNJ1 (0.45) KCNJ1KCNH2LMNAKDM4ENPC1
SCHEMBL4092491 0.94 KCNJ1 (0.49) KCNJ1KCNH2LMNASMN1; SMN2POLB
SCHEMBL4823828 0.91 KCNJ1 (0.54) KCNJ1KCNH2LMNAKDM4ENPC1
SCHEMBL4086996 0.91 KCNJ1 (0.49) KCNJ1KCNH2LMNASMN1; SMN2POLB
SCHEMBL4096675 0.91 KCNJ1 (0.49) KCNJ1KCNH2LMNASMN1; SMN2POLB
SCHEMBL9906210 0.91 KCNJ1 (0.49) KCNJ1KCNH2LMNASMN1; SMN2POLB
SCHEMBL8717979 0.88 KCNJ1 (0.49) KCNJ1KCNH2KDM4ENPC1NR2F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004048499-A2 COMBINED ROD-DISC CRYSTALLINE SYSTEMS WITH NEMATIC PROPERTIES THE UNIVERSITY OF HULL (GB) 2004-06-10 WO claimed
WO-2004048499-A2 COMBINED ROD-DISC CRYSTALLINE SYSTEMS WITH NEMATIC PROPERTIES THE UNIVERSITY OF HULL (GB) 2004-06-10 WO disclosed
US-6696551-B1 RADIOIMMUNOTHERAPY, DECONTAMINATION AND DETOXIFICATION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-02-24 US disclosed