SCHEMBL7977607

SCHEMBL7977607

COc1c(CSc2nc3ccccc3[nH]2)cccc1OCCO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.66
AR P10275 2/20 0.52
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
TP53 P04637 2/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PTGS2 P35354 1/20 0.50
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL7975212 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ARRAB9ANPC1KMT2A
SCHEMBL7974388 0.82 SMN1; SMN2 (0.54) SMN1; SMN2ARRAB9ANPC1KMT2A
Water SCHEMBL6484487 0.77 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1KMT2ALMNA
Water SCHEMBL6484483 0.77 SMN1; SMN2 (0.77) SMN1; SMN2RAB9ANPC1KMT2ALMNA
SCHEMBL7964121 0.76 SMN1; SMN2 (0.61) SMN1; SMN2ARRAB9ANPC1KMT2A
SCHEMBL7964010 0.76 SMN1; SMN2 (0.61) SMN1; SMN2ARRAB9ANPC1KMT2A
SCHEMBL599742 0.75 CYP2C9 (0.72) SMN1; SMN2ARRAB9ANPC1KMT2A
SCHEMBL9834816 0.74 RAB9A (0.58) SMN1; SMN2ARRAB9ANPC1KMT2A
SCHEMBL2996519 0.73 AR (0.77) SMN1; SMN2ARRAB9ANPC1KMT2A
SCHEMBL10333344 0.73 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1KMT2ALMNA

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