SCHEMBL7977639

SCHEMBL7977639

Cc1c(CSc2nc3ccccc3[nH]2)cccc1OCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.53
LTA4H P09960 1/20 0.51
AR P10275 1/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD5 P21918 1/20 0.45
PTGS2 P35354 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 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
SCHEMBL8980143 0.86 CYP2C9 (0.62) RAB9ASMN1; SMN2LTA4HARMAPT
SCHEMBL7964029 0.83 RAB9A (0.70) RAB9ASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL7963990 0.83 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2MAPTLMNAHTT
SCHEMBL8980078 0.82 RAB9A (0.61) RAB9ASMN1; SMN2LTA4HARMAPT
SCHEMBL7964010 0.79 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2ARMAPTLMNA
SCHEMBL7964121 0.79 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2ARMAPTLMNA
SCHEMBL7964060 0.77 SMN1; SMN2 (0.62) RAB9ASMN1; SMN2ARMAPTLMNA
SCHEMBL8980079 0.77 CYP2C9 (0.64) RAB9ASMN1; SMN2LTA4HARMAPT
SCHEMBL7974455 0.76 TSHR (0.61) RAB9AMAPTHTTALDH1A1NPC1
SCHEMBL12195145 0.76 RAB9A (0.78) RAB9ASMN1; SMN2LTA4HARMAPT

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