SCHEMBL3976445

SCHEMBL3976445

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
PRKCZ Q05513 4/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 4/20 0.48
MAPT P10636 6/20 0.47
ADORA1 P30542 2/20 0.46
POLB P06746 1/20 0.46
GRM6 O15303 1/20 0.42
MAPK1 P28482 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HK1 P19367 1/20 0.41
RAB9A P51151 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL3975696 0.88 PRKCZ (0.45) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL4932598 0.87 HSD17B10 (0.51) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3980970 0.85 ALDH1A1 (0.65) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3981694 0.85 PRKCZ (0.62) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3975112 0.84 PRKCZ (0.50) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3976253 0.84 PRKCZ (0.50) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3975901 0.81 ALDH1A1 (0.73) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3980569 0.81 ADORA1 (0.61) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL3979142 0.80 ALDH1A1 (0.65) ALDH1A1PRKCZLMNAHPGDMEN1
SCHEMBL27653910 0.77 PBRM1 (0.51) ALDH1A1PRKCZLMNAHPGDMEN1

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