SCHEMBL8717093

SCHEMBL8717093

COc1cccc(C(N)=O)c1OCCCBr

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
PLAU P00749 1/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
SCN9A Q15858 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL3062573 0.81 SMN1; SMN2 (0.77) SMN1; SMN2PLAULMNAMAPTMEN1
SCHEMBL261504 0.80 MAPT (0.56) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL17275012 0.80 LMNA (0.57) SMN1; SMN2LMNAMAPTMEN1NR1I2
SCHEMBL11552814 0.79 KMT2A (0.67) SMN1; SMN2LMNAMAPTMEN1NR1I2
Hydrochloric Acid SCHEMBL16654449 0.78 MAPT (0.54) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL28821678 0.78 LMNA (0.50) SMN1; SMN2LMNAMAPTMEN1NR1I2
SCHEMBL27731656 0.78 LMNA (0.66) SMN1; SMN2LMNAMAPTMEN1NR1I2
SCHEMBL3079261 0.76 SMN1; SMN2 (0.74) SMN1; SMN2PLAULMNAMAPTMEN1
SCHEMBL8717088 0.76 IRAK4 (0.44) LMNAMAPTMEN1NR1I2CHRM2
SCHEMBL27275371 0.76 NPC1 (0.43) SMN1; SMN2LMNAMAPTMEN1NR1I2

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-5776963-A ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-07-07 US disclosed