Methane

Methane

SCHEMBL28083172

C.c1ccc(-c2ccc3ccccc3c2-c2ccccc2)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.47
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP2A6 P11509 1/20 0.46
TSHR P16473 1/20 0.46
WDR5 P61964 1/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
MPI P34949 1/20 0.42
HPRT1 P00492 1/20 0.42
GPR84 Q9NQS5 2/20 0.42
CYP1B1 Q16678 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALOX5 P09917 1/20 0.41
CYP1A1 P04798 1/20 0.41
ESR1 P03372 2/20 0.40

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
SCHEMBL191449 0.98 DNMT1 (0.48) DNMT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30034855 0.98 DNMT1 (0.48) DNMT1ALDH1A1HSD17B10TDP1CYP2A6
Ammonia Solution, Strong SCHEMBL12818906 0.96 DNMT1 (0.47) DNMT1ALDH1A1HSD17B10TDP1CYP2A6
Hydrogen Sulfide SCHEMBL28212457 0.96 DNMT1 (0.47) DNMT1ALDH1A1HSD17B10TDP1CYP2A6
Phosphine SCHEMBL28227864 0.96 DNMT1 (0.47) DNMT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29321981 0.92 DNMT1 (0.44) DNMT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL17442108 0.91 ALDH1A1 (0.50) DNMT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL31603915 0.91 ALDH1A1 (0.50) DNMT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL18260237 0.89 DNMT1 (0.46) DNMT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL2694363 0.88 HPRT1 (0.56) DNMT1ALDH1A1HSD17B10TDP1CYP2A6

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
CN-103402975-B beta-hydroxyalkylamide and resin composition 东洋油墨SC控股株式会社 2016-08-17 CN disclosed