SCHEMBL7316951

SCHEMBL7316951

CC(=O)c1c(OCCCCC(=O)NN2CCc3ccccc32)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
HPGD P15428 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 5/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 2/20 0.37
HTR2A P28223 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL7312248 0.87 MAPT (0.39) MAPTHPGDNPSR1ALDH1A1RAB9A
SCHEMBL7312643 0.87 MAPT (0.38) MAPTHPGDNPSR1ALDH1A1RAB9A
SCHEMBL7316945 0.79 ALDH1A1 (0.36) MAPTHPGDNPSR1ALDH1A1RAB9A
SCHEMBL7316959 0.74 ALDH1A1 (0.35) MAPTHPGDNPSR1ALDH1A1RAB9A
SCHEMBL7314876 0.73 MAOB (0.44) MAPTALDH1A1RAB9ALMNAPKM
SCHEMBL7317901 0.71 ALDH1A1 (0.44) MAPTHPGDNPSR1ALDH1A1RAB9A
SCHEMBL7316993 0.69 MAPT (0.34) MAPTHPGDNPSR1ALDH1A1RAB9A
SCHEMBL7309722 0.68 SIRT3 (0.44) MAPTALDH1A1LMNATDP1MAPK1
SCHEMBL7321019 0.68 MAPK1 (0.39) MAPTALDH1A1RAB9ALMNATDP1
SCHEMBL7320606 0.68 PDE3B (0.37) MAPTHPGDNPSR1ALDH1A1RAB9A

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