SCHEMBL7964032

SCHEMBL7964032

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCN

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.60
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HPGD P15428 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
ALDH1A1 P00352 1/20 0.60
BCHE P06276 1/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
AR P10275 4/20 0.51
TP53 P04637 2/20 0.50
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL7964015 0.89 EPHX2 (0.64) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL7964004 0.89 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL7980296 0.87 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL7977587 0.85 NPC1 (0.58) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL7977579 0.85 RAB9A (0.66) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL7974426 0.84 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL7974431 0.84 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL7964039 0.83 RAB9A (0.54) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL7974288 0.83 KMT2A (0.65) NPC1RAB9ASMN1; SMN2HPGDNFKB1
SCHEMBL7974419 0.82 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2HPGDNFKB1

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