SCHEMBL16619623

SCHEMBL16619623

CCC(C(=O)OC)c1cc(C)no1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
VHL P40337 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 3/20 0.40
HCAR2 Q8TDS4 1/20 0.40
THRB P10828 1/20 0.36
PDE10A Q9Y233 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL21877286 0.83 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1POLBLMNANPC1
SCHEMBL28921408 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1POLBLMNANPC1
SCHEMBL14776611 0.78 VHL (0.44) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL7450688 0.76 LMNA (0.41) SMN1; SMN2ALDH1A1POLBLMNANPC1
SCHEMBL18551330 0.75 KMT2A (0.43) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL17755898 0.75 VHL (0.42) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
Hydrochloric Acid SCHEMBL7463131 0.75 LMNA (0.40) SMN1; SMN2ALDH1A1POLBLMNANPC1
SCHEMBL16619625 0.73 LMNA (0.43) SMN1; SMN2ALDH1A1POLBLMNANPC1
SCHEMBL21877129 0.73 CYP1A2 (0.41) SMN1; SMN2ALDH1A1LMNANPC1RAB9A
SCHEMBL21876986 0.72 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A

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-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed