SCHEMBL2037898

SCHEMBL2037898

[CH2]C1CCCc2sc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ADORA1 P30542 1/20 0.33
RAB9A P51151 1/20 0.33
DRD3 P35462 6/20 0.32
DRD2 P14416 5/20 0.32
ADRA2A P08913 3/20 0.32
HRH2 P25021 2/20 0.32

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
SCHEMBL2454626 0.79 APOBEC3A (0.46) APOBEC3AAPOBEC3GHSD17B10MAPTGAA
SCHEMBL2049076 0.79 APOBEC3A (0.46) APOBEC3AAPOBEC3GHSD17B10MAPTGAA
SCHEMBL11244439 0.78 APOBEC3A (0.44) APOBEC3AAPOBEC3GHSD17B10MAPTGAA
SCHEMBL2037902 0.78 APOBEC3A (0.44) APOBEC3AAPOBEC3GHSD17B10MAPTGAA
Hydrochloric Acid SCHEMBL18918217 0.78 APOBEC3A (0.44) APOBEC3AAPOBEC3GHSD17B10MAPTGAA
SCHEMBL28345406 0.75 APOBEC3A (0.42) APOBEC3AAPOBEC3GHSD17B10MAPTGAA
SCHEMBL2043050 0.75 APOBEC3A (0.42) APOBEC3AAPOBEC3GHSD17B10MAPTGAA
SCHEMBL2038639 0.74 APOBEC3A (0.41) APOBEC3AAPOBEC3GHSD17B10MAPTGAA
SCHEMBL11972116 0.74 APOBEC3A (0.41) APOBEC3AAPOBEC3GHSD17B10MAPTGAA
SCHEMBL7085659 0.74 NOS1 (0.43) APOBEC3AAPOBEC3GHSD17B10MAPTGAA

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-2507245-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-10-10 EP disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed