Ethane

Ethane

SCHEMBL2023822

CC.O=[N+]([O-])c1ccccc1NCl

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CASP7 P55210 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 5/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.50
PHGDH O43175 1/20 0.49
KAT2B Q92831 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL973213 0.96 MAPK1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL12655445 0.80 ALDH1A1 (0.56) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL230874 0.79 TDP1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL30198949 0.79 TDP1 (0.60) MAPK1L3MBTL1TDP1ALDH1A1CASP7
SCHEMBL397773 0.79 MAPK1 (0.77) MAPK1L3MBTL1TDP1ALDH1A1CASP7
Ethane SCHEMBL27611887 0.78 HSD17B10 (0.68) MAPK1L3MBTL1TDP1ALDH1A1CASP7
Water SCHEMBL27730559 0.78 TDP1 (0.58) MAPK1L3MBTL1TDP1ALDH1A1CASP7
Hydrochloric Acid SCHEMBL28855008 0.78 TDP1 (0.58) MAPK1L3MBTL1TDP1ALDH1A1CASP7
Ethane SCHEMBL27839335 0.75 HSD17B10 (0.65) MAPK1L3MBTL1TDP1ALDH1A1CASP7
Ethane SCHEMBL27905373 0.75 HSD17B10 (0.65) MAPK1L3MBTL1TDP1ALDH1A1CASP7

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
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed