SCHEMBL3975112

SCHEMBL3975112

Nc1scc(-c2cccc(Cl)c2)c1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 3/20 0.49
RORB Q92753 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPT P10636 2/20 0.47
ADORA1 P30542 3/20 0.46
RORC P51449 2/20 0.44
MAP4K4 O95819 1/20 0.43
ADORA2A P29274 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
SCHEMBL3975200 0.92 PRKCZ (0.48) PRKCZALDH1A1LMNAMEN1HPGD
SCHEMBL12466203 0.87 HSD17B10 (0.51) PRKCZALDH1A1LMNAMEN1HPGD
SCHEMBL3980970 0.85 ALDH1A1 (0.65) PRKCZALDH1A1LMNAMEN1HPGD
SCHEMBL3976107 0.85 PRKCZ (0.58) PRKCZALDH1A1LMNAMEN1HPGD
SCHEMBL3972011 0.85 PRKCZ (0.57) PRKCZALDH1A1LMNAMEN1HPGD
SCHEMBL3976253 0.84 PRKCZ (0.50) PRKCZALDH1A1LMNAMEN1HPGD
SCHEMBL3976445 0.84 ALDH1A1 (0.50) PRKCZALDH1A1LMNAMEN1HPGD
SCHEMBL3980156 0.81 PRKCZ (0.45) PRKCZALDH1A1LMNAMEN1HPGD
SCHEMBL3975901 0.81 ALDH1A1 (0.73) PRKCZALDH1A1LMNAMEN1HPGD
SCHEMBL3975696 0.81 PRKCZ (0.45) PRKCZALDH1A1LMNAMEN1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO claimed
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed
WO-2009049362-A1 A1 ADENOSINE RECEPTOR ALLOSTERIC ENHANCERS MONASH UNIVERSITY (AU) 2009-04-23 WO disclosed