SCHEMBL7963955

SCHEMBL7963955

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCOc1ccc2ncc([N+](=O)[O-])n2n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.39
ALPL P05186 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL7975393 0.80 HTT (0.45) ARHTTSMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL8092772 0.76 NPC1 (0.42) HTTSMN1; SMN2MAPTLMNANPC1
Hydrochloric Acid SCHEMBL8089347 0.75 MAPT (0.37) ARHTTSMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL8089324 0.74 MAPT (0.37) ARHTTSMN1; SMN2MAPTLMNA
SCHEMBL7964032 0.72 NPC1 (0.60) ARHTTSMN1; SMN2MAPTLMNA
SCHEMBL7974426 0.72 SMN1; SMN2 (0.55) ARHTTSMN1; SMN2MAPTLMNA
SCHEMBL7974431 0.72 SMN1; SMN2 (0.55) ARHTTSMN1; SMN2MAPTLMNA
SCHEMBL7964015 0.71 EPHX2 (0.64) ARHTTSMN1; SMN2MAPTLMNA
SCHEMBL7964004 0.71 NPC1 (0.55) ARHTTSMN1; SMN2MAPTLMNA
SCHEMBL7974453 0.71 NPC1 (0.50) ARHTTSMN1; SMN2MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed