SCHEMBL11669285

SCHEMBL11669285

O=C1C2=C(SCCO2)C(O)N1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.41
HPN P05981 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL11836845 0.82 SCN2A (0.44) SCN2AHPNMEN1KMT2AMAPT
SCHEMBL11669575 0.79 NLRP3 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL11669554 0.75 SCN2A (0.53) SCN2AHPNMEN1KMT2AMAPT
SCHEMBL11836837 0.66 HPN (0.43) SCN2AHPNMEN1KMT2AMAPT
SCHEMBL11836629 0.66 SCN2A (0.68) SCN2AHPNMEN1KMT2AMAPT
SCHEMBL11669049 0.65 KDM4E (0.34) MAPTALDH1A1KDM4E
SCHEMBL11668936 0.64 NPC1 (0.31) SMN1; SMN2
SCHEMBL15272586 0.64 MAPT (0.60) SCN2AHPNMEN1KMT2AMAPT
SCHEMBL4457140 0.63 HPN (0.51) SCN2AHPNMEN1KMT2AMAPT
SCHEMBL8096821 0.63 HPN (0.48) SCN2AHPNMEN1KMT2AMAPT

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-4021554-A 1,4-Oxathiino[2,3-c]pyrrole derivatives RHONE-POULENC INDUSTRIES (FR) 1977-05-03 US disclosed