SCHEMBL7311157

SCHEMBL7311157

CC(O)c1cc(OCCC(C(N)=O)N2CCCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TSHR P16473 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
MAPK1 P28482 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL7309718 0.95 ALDH1A1 (0.38) ATMALDH1A1MAPTNPC1RAB9A
SCHEMBL7316814 0.87 NPC1 (0.42) ATMTSHRALDH1A1MAPTHPGD
SCHEMBL7311396 0.86 ATM (0.41) ATMTSHRALDH1A1MAPTHPGD
SCHEMBL7318298 0.82 KDM4E (0.45) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL7314872 0.82 NPC1 (0.40) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL7314547 0.81 KDM4E (0.46) ALDH1A1MAPTNPC1RAB9AKDM4E
SCHEMBL7321016 0.80 ALDH1A1 (0.38) ATMTSHRALDH1A1MAPTNPC1
SCHEMBL7319259 0.80 ATM (0.38) ATMTSHRALDH1A1MAPTHPGD
SCHEMBL7309728 0.77 MAPK1 (0.38) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL7313632 0.76 ATM (0.39) ATMTSHRALDH1A1MAPTNPC1

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed