SCHEMBL2844252

SCHEMBL2844252

CC1NCCc2sccc2C1O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.44
DRD3 P35462 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
KEAP1 Q14145 1/20 0.36
PNMT P11086 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HHAT Q5VTY9 1/20 0.33
DRD1 P21728 1/20 0.32
GRIN2B Q13224 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
SCHEMBL2842025 0.82 GID4 (0.36) GID4L3MBTL1DRD3TAAR1KEAP1
SCHEMBL3406589 0.78 GID4 (0.57) GID4L3MBTL1DRD3TAAR1KEAP1
SCHEMBL1866928 0.78 GID4 (0.57) GID4L3MBTL1DRD3TAAR1KEAP1
SCHEMBL3404796 0.78 GID4 (0.57) GID4L3MBTL1DRD3TAAR1KEAP1
SCHEMBL1868649 0.70 GID4 (0.53) GID4L3MBTL1DRD3TAAR1KEAP1
Hydrochloric Acid SCHEMBL3441725 0.69 GID4 (0.51) GID4L3MBTL1DRD3TAAR1KEAP1
SCHEMBL9207161 0.69 TSHR (0.53) GID4L3MBTL1DRD3KEAP1LMNA
SCHEMBL4864502 0.69 GID4 (0.48) GID4L3MBTL1DRD3TAAR1LMNA
SCHEMBL18708113 0.68 GID4 (0.32) GID4TAAR1KEAP1LMNAKMT2A
SCHEMBL12761112 0.68 GID4 (0.50) GID4L3MBTL1DRD3TAAR1KEAP1

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
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP disclosed