Methane

Methane

SCHEMBL11545753

C.O=S=Cc1cc(=O)c2ccccc2o1

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
HPGD P15428 5/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
TNKS O95271 6/20 0.47
PARP1 P09874 3/20 0.47
TNKS2 Q9H2K2 3/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47

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
SCHEMBL3844010 0.79 NPC1 (0.65) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL3814673 0.77 NPC1 (0.63) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL11497113 0.77 NPC1 (0.68) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL2465240 0.73 HPGD (1.00) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL435366 0.73 HPGD (1.00) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL24241713 0.71 KDM4E (0.63) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL8493846 0.71 HPGD (0.63) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL10615084 0.69 KDM4E (0.78) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL9975965 0.69 KDM4E (0.78) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL9976007 0.69 KDM4E (0.78) SMN1; SMN2NPC1RAB9AHPGDKDM4E

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
US-4179447-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1979-12-18 US claimed