Methane

Methane

SCHEMBL3829191

C.O=C(O)C1=C(S(=O)(=O)O)CNc2ccccc21

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
JAK2 O60674 2/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HSD17B3 P37058 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LIG1 P18858 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL30883941 0.71 HSD17B3 (0.33) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL29217668 0.71 HSD17B3 (0.33) FGFR1FGFR2FGFR4FGFR3JAK2
SCHEMBL27395617 0.66 ALDH1A1 (0.39) JAK2CA12CA9CA1CA2
SCHEMBL30634757 0.65 JAK2 (0.36) JAK2CA12CA9CA1CA2
SCHEMBL6641189 0.65 MAPT (0.34) JAK2CA12CA9HSD17B3TSHR
Water SCHEMBL27538247 0.65 ALDH1A1 (0.38) JAK2CA12CA9CA1CA2
Water SCHEMBL27476632 0.65 ALDH1A1 (0.38) JAK2CA12CA9CA1CA2
SCHEMBL28031614 0.65 ALDH1A1 (0.33) LIG1MEN1ALDH1A1LMNAMAPT
SCHEMBL1451866 0.64 NOS2 (0.34) JAK2CA12CA9HSD17B3SMN1; SMN2
SCHEMBL1451868 0.64 NOS2 (0.34) JAK2CA12CA9HSD17B3SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097400-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-09-09 EP disclosed
WO-2008082009-A2 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-07-10 WO disclosed