SCHEMBL7974400

SCHEMBL7974400

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCNC(=O)c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 7/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
KDM4E B2RXH2 2/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 2/20 0.46
DDX3X O00571 1/20 0.45
HTT P42858 2/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL7974473 0.86 RAB9A (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7977610 0.85 LMNA (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7963996 0.84 HPGD (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7963948 0.84 LMNA (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7975370 0.81 RAB9A (0.45) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7977621 0.81 SMN1; SMN2 (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7974367 0.81 LMNA (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7977605 0.79 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7975403 0.79 LMNA (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7977642 0.79 NPC1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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