SCHEMBL3975701

SCHEMBL3975701

Nc1scc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.50
PRKCZ Q05513 1/20 0.45
RORB Q92753 1/20 0.44
ESR1 P03372 1/20 0.43
RHOC P08134 3/20 0.42
RHOA P61586 3/20 0.42
ANO1 Q5XXA6 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TACR1 P25103 2/20 0.40
TACR2 P21452 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
SCHEMBL3972275 0.89 RORB (0.49) ADORA1PRKCZRORBANO1MEN1
SCHEMBL3974068 0.87 CNR2 (0.51) ADORA1PRKCZRORBMEN1KMT2A
SCHEMBL3974360 0.82 PRKCZ (0.62) ADORA1PRKCZANO1MEN1RAB9A
SCHEMBL3972589 0.79 PRKCZ (0.55) ADORA1PRKCZANO1MEN1RAB9A
SCHEMBL3972011 0.79 PRKCZ (0.57) ADORA1PRKCZANO1MEN1RAB9A
SCHEMBL3975200 0.78 PRKCZ (0.48) ADORA1PRKCZRORBMEN1RAB9A
SCHEMBL9720150 0.78 ALDH1A1 (0.53) ADORA1PRKCZMEN1RAB9AKMT2A
SCHEMBL3980569 0.78 ADORA1 (0.61) ADORA1PRKCZRORBMEN1KMT2A
SCHEMBL3980156 0.78 PRKCZ (0.45) ADORA1PRKCZANO1MEN1RAB9A
SCHEMBL3976906 0.76 PRKCZ (0.55) ADORA1PRKCZANO1MEN1RAB9A

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