Hexane

Hexane

SCHEMBL8160107

CCCCCC.NC(=O)c1ccc2c(C(N)=O)c1CC2

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CNR2 P34972 3/20 0.36
APAF1 O14727 1/20 0.36
RGS12 O14924 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
CNR1 P21554 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6466252 0.88 PARP1 (0.37) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL472840 0.78 MAPT (0.40) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL8864195 0.77 HSD17B10 (0.41) MEN1KMT2ALMNAMAPTCNR2
SCHEMBL918600 0.77 HSD17B10 (0.41) MEN1KMT2ALMNAMAPTCNR2
SCHEMBL10942539 0.77 HSD17B10 (0.41) MEN1KMT2ALMNAMAPTCNR2
SCHEMBL36051 0.77 HSD17B10 (0.41) MEN1KMT2ALMNAMAPTCNR2
SCHEMBL18489764 0.77 HSD17B10 (0.41) MEN1KMT2ALMNAMAPTCNR2
SCHEMBL6052857 0.76 HSD17B10 (0.40) MEN1KMT2ALMNAMAPTCNR2
SCHEMBL8362799 0.71 MAPT (0.42) MEN1KMT2ACYP3A4MAPTMAPK1
SCHEMBL3258685 0.69 MAPT (0.40) MEN1KMT2AMAPTALDH1A1SMN1; 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
JP-2000345034-A FLAME-RETARDED POLYAMIDE RESIN COMPOSITION ASAHI CHEM IND CO LTD 2000-12-12 JP disclosed