SCHEMBL7316945

SCHEMBL7316945

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 5/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR1A P08908 3/20 0.34
HTR2A P28223 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.33
CA12 O43570 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
SCHEMBL7312241 0.88 MAPT (0.37) ALDH1A1RAB9AMAPTHPGDNPSR1
SCHEMBL7312638 0.87 MAPT (0.35) ALDH1A1RAB9AMAPTHPGDNPSR1
SCHEMBL7316959 0.82 ALDH1A1 (0.35) ALDH1A1RAB9AMAPTHPGDNPSR1
SCHEMBL7316951 0.79 MAPT (0.39) ALDH1A1RAB9AMAPTHPGDNPSR1
SCHEMBL7314872 0.72 NPC1 (0.40) ALDH1A1RAB9AMAPTLMNATDP1
SCHEMBL7312257 0.72 ALDH1A1 (0.37) ALDH1A1RAB9AMAPTHPGDNPSR1
SCHEMBL7313632 0.71 ATM (0.39) ALDH1A1RAB9AMAPTNPSR1LMNA
SCHEMBL7312650 0.71 CA12 (0.35) ALDH1A1RAB9AMAPTHPGDNPSR1
SCHEMBL7316989 0.69 MAPT (0.32) ALDH1A1RAB9AMAPTHPGDNPSR1
SCHEMBL7312248 0.68 MAPT (0.39) ALDH1A1RAB9AMAPTHPGDNPSR1

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