SCHEMBL20439675

SCHEMBL20439675

Cc1ccc(C)c(C(=O)N2C3C[C@@H]2Cc2ccc(Br)cc23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAPT P10636 5/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.33
HSP90AA1 P07900 1/20 0.33
TERT O14746 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL20425657 0.90 SMN1; SMN2 (0.37) SMN1; SMN2TSHRHCRTR1HCRTR2MAPT
SCHEMBL20425562 0.90 SMN1; SMN2 (0.37) SMN1; SMN2TSHRHCRTR1HCRTR2MAPT
SCHEMBL20439674 0.90 SMN1; SMN2 (0.37) SMN1; SMN2TSHRHCRTR1HCRTR2MAPT
SCHEMBL20440047 0.82 TP53 (0.44) TSHRHCRTR2MAPTHPGDOPRM1
SCHEMBL20425598 0.79 MGLL (0.40) OPRM1OPRD1OPRK1MGLL
SCHEMBL20425710 0.79 MGLL (0.40) OPRM1OPRD1OPRK1MGLL
SCHEMBL20440028 0.79 MGLL (0.40) OPRM1OPRD1OPRK1MGLL
SCHEMBL20439781 0.77 MAOA (0.38) HCRTR2MAPTHPGDOPRM1OPRD1
SCHEMBL20439677 0.68 HTT (0.54) SMN1; SMN2NPC1HPGDKMT2APOLB
SCHEMBL20425617 0.66 FAAH (0.39) HCRTR2OPRM1OPRD1OPRK1KMT2A

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
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed