SCHEMBL7964033

SCHEMBL7964033

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCn1cncn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
HPGD P15428 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AR P10275 4/20 0.43
BCHE P06276 1/20 0.43
ALPL P05186 1/20 0.42
PDE10A Q9Y233 1/20 0.42
BRD2 P25440 1/20 0.41

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
SCHEMBL7974419 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHPGDNFKB1
SCHEMBL7964032 0.81 NPC1 (0.60) SMN1; SMN2NPC1RAB9AHPGDNFKB1
SCHEMBL7964039 0.80 RAB9A (0.54) SMN1; SMN2NPC1RAB9AHPGDNFKB1
SCHEMBL7964015 0.80 EPHX2 (0.64) SMN1; SMN2NPC1RAB9AHPGDNFKB1
SCHEMBL7964004 0.80 NPC1 (0.55) SMN1; SMN2NPC1RAB9AHPGDNFKB1
SCHEMBL7964029 0.79 RAB9A (0.70) SMN1; SMN2NPC1RAB9AHPGDNFKB1
SCHEMBL7980296 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHPGDNFKB1
SCHEMBL7977579 0.76 RAB9A (0.66) SMN1; SMN2NPC1RAB9AHPGDNFKB1
SCHEMBL7975381 0.76 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHPGDNFKB1
SCHEMBL7974431 0.75 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHPGDNFKB1

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