SCHEMBL17115236

SCHEMBL17115236

Cc1ccc2c(c1)Oc1ccccc1/C2=C1/c2ccccc2Oc2c[n+](C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HRH4 Q9H3N8 1/20 0.36
MAOB P27338 4/20 0.36
MAOA P21397 1/20 0.36
SETD7 Q8WTS6 1/20 0.34
ACHE P22303 2/20 0.33
ELANE P08246 1/20 0.33
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP19A1 P11511 1/20 0.31
BCHE P06276 1/20 0.30
P2RX4 Q99571 1/20 0.30

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
SCHEMBL19051920 0.88 SETD7 (0.41) SETD7ACHEMAPK1BCHE
SCHEMBL19051924 0.88 SETD7 (0.41) SETD7ACHEMAPK1BCHE
SCHEMBL19051918 0.88 SETD7 (0.41) SETD7ACHEMAPK1BCHE
SCHEMBL19024329 0.76 MAOA (0.36) HRH4MAOBMAOASETD7MAPK1
SCHEMBL19051925 0.76 MAOA (0.36) HRH4MAOBMAOASETD7MAPK1
SCHEMBL19051932 0.72 HTT (0.48) LMNAACHEMAPK1TP53MAPT
SCHEMBL19051949 0.72 HTT (0.48) LMNAACHEMAPK1TP53MAPT
SCHEMBL19591718 0.70 MAPK1 (0.52) LMNAHRH4MAOBMAOAELANE
SCHEMBL9475303 0.70 ELANE (0.62) LMNAHRH4MAOBMAOAELANE
SCHEMBL19885345 0.69 ELANE (0.50) LMNAHRH4MAOBMAOASETD7

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-2015143349-A1 NEW IMAGING AGENTS AND METHODS OF IDENTIFYING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-09-24 WO disclosed