Methane

Methane

SCHEMBL28438541

C.COc1cc2nccc(-c3ccc(CN[SH](=O)=O)cc3)c2cc1OC

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.49
ENPP1 P22413 1/20 0.49
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
EGFR P00533 5/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
LCK P06239 2/20 0.40
SRC P12931 2/20 0.39
FGFR2 P21802 1/20 0.39
BMPR1B O00238 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
ABL1 P00519 1/20 0.39
EPHA1 P21709 1/20 0.39

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
SCHEMBL22407332 0.99 ENPP3 (0.50) ENPP3ENPP1KDM4EHTTALDH1A1
SCHEMBL22407561 0.90 ENPP3 (0.47) ENPP3ENPP1EGFRMET
SCHEMBL22407611 0.84 ENPP1 (0.48) ENPP1SRCMETTGFBR1
SCHEMBL20782642 0.84 ENPP3 (0.51) ENPP3ENPP1KDM4EHTTALDH1A1
SCHEMBL20770889 0.84 ENPP3 (0.69) ENPP3ENPP1HTTEGFRGAK
Hydrochloric Acid SCHEMBL20770994 0.83 ENPP3 (0.50) ENPP3ENPP1KDM4EHTTALDH1A1
SCHEMBL22407557 0.83 ENPP3 (0.48) ENPP3ENPP1EGFRMET
SCHEMBL20782644 0.82 PDGFRB (0.46) ENPP3ENPP1EGFRLCKSRC
SCHEMBL22407529 0.82 FLT3 (0.42) KMT2AMETPDGFRA
SCHEMBL20775108 0.81 MET (0.50) ENPP3ENPP1KDM4EHTTALDH1A1

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-111315723-A Extramembranous nucleotide pyrophosphatase-phosphodiesterase 1(ENPP-1) inhibitor and application thereof 艾伯维公司 2020-06-19 CN disclosed