Methane

Methane

SCHEMBL28056221

C.c1ccc2sc(-c3nc4ccccc4s3)nc2c1

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.64
NPC1 O15118 10/20 0.64
KDM4E B2RXH2 9/20 0.64
ALDH1A1 P00352 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
TP53 P04637 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TSHR P16473 1/20 0.64
MAPT P10636 6/20 0.62
L3MBTL1 Q9Y468 4/20 0.62
GAA P10253 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
GLA P06280 2/20 0.62
APP P05067 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
LMNA P02545 1/20 0.62
MMP9 P14780 1/20 0.62
MMP8 P22894 1/20 0.62
NPSR1 Q6W5P4 2/20 0.60

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
SCHEMBL827403 0.97 RAB9A (0.67) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.95 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL28205214 0.95 RAB9A (0.64) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
Thiophene SCHEMBL27961647 0.87 RAB9A (0.59) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9228500 0.86 APP (0.63) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL366824 0.86 RAB9A (0.81) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL231307 0.86 KDM4E (0.75) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL29474819 0.86 RAB9A (0.81) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
2-Mercaptobenzothiazole SCHEMBL28150677 0.85 RAB9A (0.55) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL24295138 0.84 RAB9A (0.79) RAB9ANPC1KDM4EALDH1A1SMN1; 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
CN-105503770-A Derivative of salicylaldehyde- bis-benzothiazolyl methane and application of derivative UNIV SUZHOU SCIENCE & TECH 2016-04-20 CN disclosed