SCHEMBL961205

SCHEMBL961205

COC(=O)c1cccc(-c2cc(-c3ccc(Br)cc3)[nH]n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 10/20 0.53
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
MAPT P10636 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HSP90AA1 P07900 2/20 0.49
ALOX15 P16050 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL936143 0.89 PRKD1 (0.54) PRKD1BCHEACHEMAPTNPC1
SCHEMBL17279928 0.88 MAPT (0.54) PRKD1BCHEACHEMAPTRAB9A
SCHEMBL17279929 0.87 PRKD1 (0.54) PRKD1BCHEACHEMAPTNPC1
SCHEMBL935612 0.85 PRKD1 (0.52) PRKD1BCHEACHEMAPTNPC1
SCHEMBL936255 0.84 PRKD1 (0.73) PRKD1BCHEACHE
SCHEMBL936198 0.84 PRKD1 (0.53) PRKD1BCHEACHEMAPTNPC1
SCHEMBL17279926 0.83 MAPT (0.54) PRKD1BCHEACHEMAPTNPC1
SCHEMBL17279877 0.82 GAA (0.59) PRKD1BCHEACHEMAPTNPC1
SCHEMBL14985491 0.82 GAA (0.63) BCHEACHEMAPTNPC1RAB9A
SCHEMBL8880508 0.81 PLAU (0.64) PLAUGABRG2GABRB3GABRA5GABRA3

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
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed