SCHEMBL8117979

SCHEMBL8117979

CN1CCSc2cc(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NOX1 Q9Y5S8 2/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SNCA P37840 1/20 0.41

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
SCHEMBL499342 0.76 NOS3 (0.58) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL24991972 0.75 ALDH1A1 (0.53) KMT2AMEN1KDM4EALDH1A1ALOX15
SCHEMBL13700870 0.75 NOS3 (0.43) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL499173 0.74 NOS3 (0.60) DRD3MAPTRAD52GAAGFER
SCHEMBL499645 0.74 NOS3 (0.60) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL499955 0.73 NOS3 (0.57) ALDH1A1POLB
SCHEMBL3969979 0.73 NOTUM (0.56) KMT2AL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL28585181 0.72 MAPT (0.47) KMT2AMEN1NOX1ADRA2AADRA2B
SCHEMBL499065 0.72 NOS3 (0.58) DRD3ALDH1A1POLB
SCHEMBL499358 0.71 NOS3 (0.59) KDM4EALDH1A1GFERPOLB

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-1049692-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES Bayer Aktiengesellschaft (DE) 2000-11-08 — — EP disclosed
WO-1999037641-A1 NOVEL BICYCLENE-SUBSTITUTED OXAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-29 — — WO disclosed
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