SCHEMBL7316959

SCHEMBL7316959

CC(=O)c1c(OC(CCCC(N)=O)N2CCc3ccccc32)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 4/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL7312257 0.87 ALDH1A1 (0.37) ALDH1A1MAPTPOLBRAB9ACYP3A4
SCHEMBL7312650 0.86 CA12 (0.35) ALDH1A1MAPTPOLBRAB9ACYP3A4
SCHEMBL7316945 0.82 ALDH1A1 (0.36) ALDH1A1MAPTPOLBRAB9ACYP3A4
SCHEMBL7316951 0.74 MAPT (0.39) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL7314882 0.73 NPC1 (0.41) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL7312241 0.72 MAPT (0.37) ALDH1A1MAPTPOLBRAB9ACYP3A4
SCHEMBL7312638 0.71 MAPT (0.35) ALDH1A1MAPTPOLBRAB9ACYP3A4
SCHEMBL7309728 0.69 MAPK1 (0.38) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL7317001 0.68 MAPT (0.31) ALDH1A1MAPTPOLB
SCHEMBL7316139 0.68 ALDH1A1 (0.31) ALDH1A1POLBHTTL3MBTL1

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