SCHEMBL7963990

SCHEMBL7963990

Cc1c(CSc2nc3ccccc3[nH]2)cccc1OCC(=O)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.50
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
KLK7 P49862 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
FKBP1A P62942 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL7964031 0.83 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL7977639 0.83 RAB9A (0.59) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL7963873 0.81 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL28693267 0.80 RAB9A (0.54) SMN1; SMN2RAB9ANPC1KLK7ALDH1A1
SCHEMBL1415033 0.77 RAB9A (0.78) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1
SCHEMBL7964060 0.75 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL7963947 0.75 RAB9A (0.70) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1
SCHEMBL7977556 0.74 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1
SCHEMBL7964029 0.73 RAB9A (0.70) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL7974500 0.73 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1ALDH1A1MAPK1

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