SCHEMBL3972275

SCHEMBL3972275

Nc1scc(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORB Q92753 7/20 0.49
RORC P51449 4/20 0.49
ADORA1 P30542 4/20 0.49
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PRKCZ Q05513 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ANO1 Q5XXA6 1/20 0.42
LMNA P02545 1/20 0.42
CNR2 P34972 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
SRD5A2 P31213 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
SCHEMBL3980569 0.89 ADORA1 (0.61) RORBRORCADORA1HSD17B10ALDH1A1
SCHEMBL3975701 0.89 ADORA1 (0.50) RORBADORA1MEN1KMT2AMAPT
SCHEMBL3975200 0.85 PRKCZ (0.48) RORBRORCADORA1HSD17B10ALDH1A1
SCHEMBL3980156 0.84 PRKCZ (0.45) ADORA1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL12466271 0.83 ADORA1 (0.49) RORBRORCADORA1HSD17B10ALDH1A1
SCHEMBL3975696 0.82 PRKCZ (0.45) ADORA1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3972011 0.81 PRKCZ (0.57) ADORA1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9720150 0.80 ALDH1A1 (0.53) ADORA1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3974360 0.79 PRKCZ (0.62) ADORA1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3974068 0.79 CNR2 (0.51) RORBRORCADORA1HSD17B10ALDH1A1

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