SCHEMBL9565062

SCHEMBL9565062

CC1(C)C(=O)c2ccc(Br)cc2[C@@H](Oc2ccccn2)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.34
LMNA P02545 3/20 0.34
FURIN P09958 1/20 0.32
MAPT P10636 3/20 0.32
TDP2 O95551 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ADRA1A P35348 1/20 0.31
AVPR1A P37288 2/20 0.31
MAPK1 P28482 1/20 0.31
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL9565063 1.00 TP53 (0.34) TP53LMNAFURINMAPTTDP2
SCHEMBL9565065 1.00 TP53 (0.34) TP53LMNAFURINMAPTTDP2
SCHEMBL9564981 0.91 MAPK1 (0.34) TP53FURINMAPTCA1CA2
SCHEMBL9564979 0.91 MAPK1 (0.34) TP53FURINMAPTCA1CA2
SCHEMBL9564975 0.91 MAPK1 (0.34) TP53FURINMAPTCA1CA2
SCHEMBL9565076 0.84 ABCC9 (0.38) AVPR1AGRM5
SCHEMBL9565074 0.84 ABCC9 (0.38) AVPR1AGRM5
SCHEMBL9565078 0.84 ABCC9 (0.38) AVPR1AGRM5
SCHEMBL9565042 0.80 LMNA (0.33) LMNATDP2CA1CA2CA4
SCHEMBL9565039 0.80 LMNA (0.33) LMNATDP2CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP disclosed