SCHEMBL7307164

SCHEMBL7307164

CC(=O)c1cc(OC(CCC(N)=O)N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HTT P42858 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.35
GFER P55789 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRNB4 P30926 1/20 0.34

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
SCHEMBL7318460 0.99 MAPT (0.42) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7317906 0.90 MAPT (0.52) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7314556 0.85 SMN1; SMN2 (0.40) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7318392 0.84 SMN1; SMN2 (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7318308 0.84 NPC1 (0.39) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7320431 0.82 SMN1; SMN2 (0.37) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7314882 0.80 NPC1 (0.41) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7307151 0.79 KDM4E (0.47) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7318453 0.78 KDM4E (0.46) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7316028 0.75 NPC1 (0.42) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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