SCHEMBL3974068

SCHEMBL3974068

Nc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
CNR1 P21554 2/20 0.51
ADORA1 P30542 3/20 0.51
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
PRKCZ Q05513 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 1/20 0.46
P2RX1 P51575 2/20 0.46
RORB Q92753 2/20 0.46
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
HSD17B10 Q99714 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40
SRD5A2 P31213 1/20 0.40

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 0.90 ADORA1 (0.61) CNR2CNR1ADORA1MEN1ALDH1A1
SCHEMBL3975701 0.87 ADORA1 (0.50) ADORA1MEN1KMT2APRKCZLMNA
SCHEMBL9720150 0.85 ALDH1A1 (0.53) ADORA1MEN1ALDH1A1KMT2APRKCZ
SCHEMBL3980970 0.81 ALDH1A1 (0.65) ADORA1MEN1ALDH1A1KMT2APRKCZ
SCHEMBL3972275 0.79 RORB (0.49) CNR2ADORA1MEN1ALDH1A1KMT2A
SCHEMBL3976339 0.78 PRKCZ (0.58) MEN1ALDH1A1KMT2APRKCZLMNA
SCHEMBL3976253 0.77 PRKCZ (0.50) ADORA1MEN1ALDH1A1KMT2APRKCZ
SCHEMBL12466271 0.77 ADORA1 (0.49) ADORA1MEN1ALDH1A1KMT2APRKCZ
SCHEMBL3974317 0.75 PRKCZ (0.54) ADORA1MEN1ALDH1A1KMT2APRKCZ
SCHEMBL3981694 0.75 PRKCZ (0.62) MEN1ALDH1A1KMT2APRKCZLMNA

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