SCHEMBL7977642

SCHEMBL7977642

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCNC(=O)c1ccnc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 5/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL7963996 0.85 HPGD (0.56) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7975403 0.83 LMNA (0.47) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7975370 0.83 RAB9A (0.45) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7974367 0.83 LMNA (0.50) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7974473 0.83 RAB9A (0.52) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7977610 0.82 LMNA (0.47) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7977621 0.81 SMN1; SMN2 (0.52) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7977605 0.80 SMN1; SMN2 (0.51) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7974400 0.79 MEN1 (0.48) NPC1RAB9AHPGDLMNASMN1; SMN2
SCHEMBL7963948 0.78 LMNA (0.47) NPC1RAB9AHPGDLMNASMN1; 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