Methane

Methane

SCHEMBL11836732

C.NC(O)=S.OC(=S)Nc1cccnc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
NAMPT P43490 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 4/20 0.50
BCL6 P41182 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
HPGD P15428 1/20 0.48

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
SCHEMBL9383012 0.98 PKM (0.56) PKMNPC1RAB9ANAMPTATG4B
SCHEMBL525722 0.83 ALDH1A1 (0.57) PKMNPC1RAB9ANAMPTATG4B
SCHEMBL29972743 0.83 ALDH1A1 (0.57) PKMNPC1RAB9ANAMPTATG4B
SCHEMBL8977667 0.81 ALDH1A1 (0.55) PKMNPC1RAB9AKDM4EALDH1A1
SCHEMBL15510403 0.79 MAPT (0.74) PKMMAPTKDM4EALDH1A1SMN1; SMN2
Methane SCHEMBL1286316 0.78 ALDH1A1 (0.67) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL11186307 0.78 PKM (0.69) PKMNPC1RAB9AMAPTKDM4E
SCHEMBL30394839 0.77 MAPT (0.58) PKMMAPTKDM4EBCL6ALDH1A1
Methane SCHEMBL18335057 0.77 MDM2 (0.48) KDM4EALDH1A1KMT2ALMNA
Methane SCHEMBL11774994 0.77 ALDH1A1 (0.64) NPC1RAB9AMAPTKDM4EALDH1A1

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-3992391-A PREVENTION AND TREATMENT OF HYPOXIA DAINIPPON PHARMACEUTICAL CO., LTD. (JA) 1976-11-16 US disclosed