SCHEMBL7314872

SCHEMBL7314872

CC(=O)c1cc(OCCC(C(N)=O)N2CCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 5/20 0.39
MAPK1 P28482 5/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
MAOA P21397 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 3/20 0.37
SIRT6 Q8N6T7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7316814 0.95 NPC1 (0.42) NPC1RAB9AMAOBMAPK1MAPT
SCHEMBL7309718 0.87 ALDH1A1 (0.38) NPC1RAB9AMAPK1MAPTALDH1A1
SCHEMBL7321016 0.86 ALDH1A1 (0.38) NPC1RAB9AMAPK1MAPTALDH1A1
SCHEMBL7311157 0.82 ATM (0.41) NPC1RAB9AMAPK1MAPTALDH1A1
SCHEMBL7314882 0.81 NPC1 (0.41) NPC1RAB9AMAPK1MAPTALDH1A1
SCHEMBL7318453 0.81 KDM4E (0.46) NPC1RAB9AMAOBMAPK1MAPT
SCHEMBL7311396 0.81 ATM (0.41) NPC1RAB9AMAPK1MAPTALDH1A1
SCHEMBL7307151 0.81 KDM4E (0.47) NPC1RAB9AMAOBMAPTALDH1A1
SCHEMBL7314876 0.77 MAOB (0.44) NPC1RAB9AMAOBMAPK1MAPT
SCHEMBL7313632 0.74 ATM (0.39) NPC1RAB9AMAPK1MAPTALDH1A1

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