SCHEMBL7974426

SCHEMBL7974426

COCCOCCOCCSc1cccc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.55
AR P10275 7/20 0.53
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
LMNA P02545 5/20 0.48
TP53 P04637 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
BCHE P06276 1/20 0.45

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
SCHEMBL7974431 1.00 SMN1; SMN2 (0.55) SMN1; SMN2ARNPC1RAB9AHPGD
SCHEMBL7974429 0.88 AR (0.42) SMN1; SMN2ARNPC1RAB9AHPGD
SCHEMBL7964022 0.86 AR (0.41) SMN1; SMN2ARNPC1RAB9AHPGD
SCHEMBL7964010 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ARNPC1RAB9AHPGD
SCHEMBL7964121 0.84 SMN1; SMN2 (0.61) SMN1; SMN2ARNPC1RAB9AHPGD
SCHEMBL8915939 0.84 NPC1 (0.56) SMN1; SMN2ARNPC1RAB9AHPGD
SCHEMBL8914247 0.84 NPC1 (0.56) SMN1; SMN2ARNPC1RAB9AHPGD
SCHEMBL8914907 0.84 NPC1 (0.56) SMN1; SMN2ARNPC1RAB9AHPGD
SCHEMBL8915335 0.84 NPC1 (0.56) SMN1; SMN2ARNPC1RAB9AHPGD
SCHEMBL8915101 0.84 NPC1 (0.56) SMN1; SMN2ARNPC1RAB9AHPGD

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