SCHEMBL7964029

SCHEMBL7964029

Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
HPGD P15428 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MYC P01106 1/20 0.46
TSHR P16473 1/20 0.45
SOAT1 P35610 4/20 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
SCHEMBL7964039 0.90 RAB9A (0.54) RAB9ASMN1; SMN2NPC1GRIN2AGRIN2B
SCHEMBL8915606 0.86 RAB9A (0.69) RAB9ASMN1; SMN2NPC1GRIN2AGRIN2B
SCHEMBL7974455 0.84 TSHR (0.61) RAB9ANPC1ALDH1A1MAPTALOX15
SCHEMBL9514685 0.83 RAB9A (1.00) RAB9ASMN1; SMN2NPC1GRIN2AGRIN2B
SCHEMBL7977639 0.83 RAB9A (0.59) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
Hydrochloric Acid SCHEMBL699487 0.82 RAB9A (0.97) RAB9ASMN1; SMN2NPC1GRIN2AGRIN2B
SCHEMBL7964032 0.81 NPC1 (0.60) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL8916879 0.80 RAB9A (0.60) RAB9ASMN1; SMN2NPC1GRIN2AGRIN2B
SCHEMBL7964004 0.80 NPC1 (0.55) RAB9ASMN1; SMN2NPC1HPGDALDH1A1
SCHEMBL7964015 0.80 EPHX2 (0.64) RAB9ASMN1; SMN2NPC1HPGDALDH1A1

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