Methane

Methane

SCHEMBL7703084

C.O=C(O)C1=C(S(=O)(=O)O)CNc2ncccc21

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 2/20 0.34
KDM4E B2RXH2 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
CAMKK2 Q96RR4 1/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
ALDH1A1 P00352 2/20 0.32
BLM P54132 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
AGER Q15109 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 3/20 0.31
HTT P42858 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
NAPRT Q6XQN6 3/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31

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
Methane SCHEMBL3829191 0.78 FGFR1 (0.35) SMN1; SMN2TDP1MAPTALDH1A1ALOX15
SCHEMBL27456055 0.68 SMN1; SMN2 (0.35) SMN1; SMN2CYP1A2KDM4ETDP1CAMKK2
Water SCHEMBL27454951 0.67 SMN1; SMN2 (0.34) SMN1; SMN2CYP1A2KDM4ETDP1CAMKK2
SCHEMBL3792409 0.65 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2KDM4ETDP1CAMKK2
SCHEMBL13629286 0.65 CA12 (0.52) SMN1; SMN2CYP1A2TDP1MAPTALDH1A1
SCHEMBL29588246 0.65 CYP1A2 (0.50) SMN1; SMN2CYP1A2TDP1MAPTALDH1A1
SCHEMBL1699110 0.65 CYP1A2 (0.50) SMN1; SMN2CYP1A2TDP1MAPTALDH1A1
Hydrochloric Acid SCHEMBL5778118 0.64 SMN1; SMN2 (0.39) SMN1; SMN2CYP1A2KDM4ETDP1CAMKK2
SCHEMBL5262502 0.64 NAPRT (0.40) SMN1; SMN2CYP1A2KDM4ETDP1CAMKK2
Hydrochloric Acid SCHEMBL1699166 0.63 CYP1A2 (0.49) SMN1; SMN2CYP1A2TDP1MAPTALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1179533-A2 Salt of naphthyridine carboxylic acid derivative LG CHEMICAL LIMITED (KR) 2002-02-13 EP disclosed
EP-1114050-A1 PROCESS FOR THE PRODUCTION OF A NAPHTHYRIDINE CARBOXYLIC ACID DERIVATIVE ( METHANESULFONATE SESQUIHYDRATE ) SMITHKLINE BEECHAM PLC (GB) 2001-07-11 EP disclosed
WO-2000017199-A1 PROCESS FOR THE PRODUCTION OF A NAPHTHYRIDINE CARBOXYLIC ACID DERIVATIVE (METHANESULFONATE SESQUIHYDRATE) SMITHKLINE BEECHAM P.L.C. (GB) 2000-03-30 WO disclosed
EP-0981527-A1 SALT OF NAPHTHYRIDINE CARBOXYLIC ACID DERIVATIVE LG Life Sciences Ltd. (KR) 2000-03-01 EP disclosed
WO-1998042705-A1 SALT OF NAPHTHYRIDINE CARBOXYLIC ACID DERIVATIVE LG CHEMICAL LTD. (KR) 1998-10-01 WO disclosed