SCHEMBL7964060

SCHEMBL7964060

Cc1c(CSc2nc3ccccc3[nH]2)cccc1OCC(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.62
RAB9A P51151 11/20 0.53
NPC1 O15118 9/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
PTGS2 P35354 1/20 0.52
POLB P06746 1/20 0.51
AR P10275 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL2992917 0.83 RAB9A (0.72) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7964031 0.83 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL8980114 0.82 RAB9A (0.55) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7964121 0.82 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7964010 0.82 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7963873 0.81 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7977579 0.80 RAB9A (0.66) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7977643 0.79 AR (0.43) SMN1; SMN2RAB9AALDH1A1HPGDPOLB
SCHEMBL7977639 0.77 RAB9A (0.59) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7980296 0.77 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1NFKB1NFKB2

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