SCHEMBL3893386

SCHEMBL3893386

CC(=O)Oc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
ALDH1A1 P00352 6/20 0.62
TP53 P04637 1/20 0.62
SIRT6 Q8N6T7 1/20 0.60
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 1/20 0.56
HTT P42858 1/20 0.55
AKR1C3 P42330 1/20 0.55
ENPP2 Q13822 2/20 0.54

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
SCHEMBL11035023 0.86 GLA (0.61) MAPTALDH1A1TP53LMNAPOLB
4-Nitrophenyl Acetate SCHEMBL74985 0.86 GAA (0.66) MAPTALDH1A1TP53LMNASMN1; SMN2
SCHEMBL2313314 0.84 MAPT (0.62) MAPTALDH1A1TP53LMNASMN1; SMN2
4-Nitrophenyl Acetate SCHEMBL11309102 0.84 GAA (0.64) MAPTALDH1A1LMNASMN1; SMN2POLB
4-Nitrophenyl Acetate SCHEMBL11309107 0.84 GAA (0.64) MAPTALDH1A1LMNASMN1; SMN2POLB
4-Nitrophenyl Acetate SCHEMBL21824458 0.84 GAA (0.64) MAPTALDH1A1LMNASMN1; SMN2POLB
4-Nitrophenyl Acetate SCHEMBL8769916 0.84 GAA (0.64) MAPTALDH1A1LMNASMN1; SMN2POLB
4-Nitrophenyl Acetate SCHEMBL3502992 0.84 GAA (0.64) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3044836 0.84 MAPT (0.69) MAPTALDH1A1TP53LMNASMN1; SMN2
4-Nitrophenyl Acetate SCHEMBL8769946 0.82 GAA (0.62) MAPTALDH1A1TP53LMNASMN1; SMN2

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
WO-2009141837-A2 PROCESS FOR PREPARING POSACONAZOLE AND INTERMEDIATES THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2009-11-26 WO disclosed