SCHEMBL9300730

SCHEMBL9300730

Cc1nc2c(ccc3c4ccccc4ccc32)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.57
NPC1 O15118 2/20 0.57
HPRT1 P00492 3/20 0.48
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
HCRTR1 O43613 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 3/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
HIF1A Q16665 1/20 0.42
XIAP P98170 1/20 0.42

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
SCHEMBL29843187 0.91 RAB9A (0.53) RAB9ANPC1TLR8TLR7MAPT
SCHEMBL2170681 0.91 RAB9A (0.53) RAB9ANPC1TLR8TLR7MAPT
SCHEMBL4139521 0.89 RAB9A (0.51) RAB9ANPC1TLR8TLR7MAPT
Iodomethane SCHEMBL9193628 0.88 RAB9A (0.50) RAB9ANPC1TLR8TLR7MAPT
SCHEMBL20669005 0.87 NPC1 (0.70) RAB9ANPC1TLR8TLR7MAPT
SCHEMBL17281460 0.85 NPC1 (0.72) RAB9ANPC1TLR8TLR7MAPT
SCHEMBL26217317 0.83 RAB9A (0.46) RAB9ANPC1TLR8TLR7MAPT
SCHEMBL9301396 0.81 XIAP (0.43) RAB9ANPC1TLR8TLR7MAPT
SCHEMBL8603051 0.79 HPRT1 (0.48) RAB9ANPC1HPRT1MAPTLMNA
SCHEMBL17427942 0.79 RAB9A (0.53) RAB9ANPC1TLR8TLR7MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326876-A Process for preparing an alkyl sulfonate derivative FUJI PHOTO FILM CO., LTD. (JP) 1994-07-05 US disclosed