SCHEMBL7312241

SCHEMBL7312241

CC(O)c1c(OCCCC(C(N)=O)N2CCc3ccccc32)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL7316945 0.88 ALDH1A1 (0.36) MAPTNPSR1HPGDALDH1A1POLB
SCHEMBL7312638 0.86 MAPT (0.35) MAPTNPSR1HPGDALDH1A1POLB
SCHEMBL7312257 0.83 ALDH1A1 (0.37) MAPTNPSR1HPGDALDH1A1POLB
SCHEMBL7312248 0.79 MAPT (0.39) MAPTNPSR1HPGDALDH1A1RAB9A
SCHEMBL7319259 0.73 ATM (0.38) MAPTNPSR1HPGDALDH1A1POLB
SCHEMBL7309718 0.72 ALDH1A1 (0.38) MAPTALDH1A1RAB9ALMNATDP1
SCHEMBL7316959 0.72 ALDH1A1 (0.35) MAPTNPSR1HPGDALDH1A1POLB
SCHEMBL7312650 0.70 CA12 (0.35) MAPTNPSR1HPGDALDH1A1POLB
SCHEMBL7311157 0.69 ATM (0.41) MAPTHPGDALDH1A1POLBRAB9A
SCHEMBL7316989 0.68 MAPT (0.32) MAPTNPSR1HPGDALDH1A1POLB

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