SCHEMBL7309450

SCHEMBL7309450

CC(=O)c1cc(OCCCCC(=O)NN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL7317898 0.97 MAPT (0.53) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7318455 0.88 KDM4E (0.47) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7307157 0.87 KDM4E (0.48) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7310467 0.85 ALDH1A1 (0.48) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7319188 0.84 ALDH1A1 (0.47) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7316021 0.82 ALDH1A1 (0.49) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7320153 0.81 RAB9A (0.48) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7313981 0.77 MAPT (0.44) MAPTKDM4EALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL7313989 0.77 SIRT5 (0.45) MAPTKDM4EKMT2AMEN1HTT
SCHEMBL7314876 0.76 MAOB (0.44) MAPTKDM4ENPC1RAB9AALDH1A1

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