Hexane

Hexane

SCHEMBL11397490

CCCCCC.CCOCNc1nc(N)nc(N)n1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 17/20 0.42
TLR7 Q9NYK1 7/20 0.41
DNM2 P50570 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
CDK9 P50750 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL963512 0.93 TLR8 (0.36) TLR8TLR7KDM4ENPC1ALDH1A1
SCHEMBL17915969 0.89 TLR8 (0.36) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL1450095 0.86 NOS1 (0.42) TLR8TLR7MEN1LMNAMAPT
SCHEMBL11053521 0.86 NOS1 (0.42) TLR8TLR7MEN1LMNAMAPT
SCHEMBL408240 0.86 TLR8 (0.40) TLR8TLR7KDM4EMEN1NPC1
Lindane SCHEMBL1672734 0.84 NPC1 (0.32) TLR8KDM4ENPC1LMNAMAPT
SCHEMBL8130295 0.84 SMN1; SMN2 (0.33) TLR8TLR7KDM4ENPC1LMNA
SCHEMBL3981799 0.81 CA1 (0.37) TLR8TLR7NPC1LMNAMAPK1
SCHEMBL9613719 0.81 TLR8 (0.37) TLR8TLR7KDM4EMEN1NPC1
SCHEMBL3105245 0.80 CA1 (0.39) NPC1MAPK1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033168-A1 Water-thinnable binders, preparation, and use in aqueous coating compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-08-05 EP disclosed