SCHEMBL5583970

SCHEMBL5583970

COSCC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL5583972 0.82 ALDH1A1 (0.47) ALDH1A1TDP1CYP1A2TSHRSMN1; SMN2
SCHEMBL299909 0.80 ALDH1A1 (0.54) ALDH1A1TDP1CYP1A2TSHRSMN1; SMN2
SCHEMBL5583971 0.79 ALDH1A1 (0.47) ALDH1A1TDP1CYP1A2TSHRSMN1; SMN2
SCHEMBL3323932 0.77 ALDH1A1 (0.50) ALDH1A1TDP1CYP1A2TSHRSMN1; SMN2
SCHEMBL6680488 0.77 ALDH1A1 (0.50) ALDH1A1TDP1CYP1A2TSHRHSD17B10
SCHEMBL12932150 0.76 ALDH1A1 (0.47) ALDH1A1TDP1CYP1A2TSHRSMN1; SMN2
SCHEMBL23861299 0.76 ALDH1A1 (0.49) ALDH1A1TDP1CYP1A2TSHRHSD17B10
SCHEMBL16674748 0.76 ALDH1A1 (0.49) ALDH1A1TDP1CYP1A2TSHRSMN1; SMN2
SCHEMBL11254195 0.76 CYP1A2 (0.50) ALDH1A1TDP1CYP1A2TSHRSMN1; SMN2
SCHEMBL29695357 0.76 ALDH1A1 (0.53) ALDH1A1TDP1CYP1A2TSHRSMN1; 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
EP-1425417-B1 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECH GMBH (DE) 2007-10-31 EP disclosed