SCHEMBL935612

SCHEMBL935612

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 9/20 0.52
ERN1 O75460 4/20 0.51
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
ALPL P05186 1/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44

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 0.86 PRKD1 (0.54) PRKD1ERN1BCHEACHEMAPT
SCHEMBL17279928 0.86 MAPT (0.54) PRKD1ERN1BCHEACHEMAPT
SCHEMBL961205 0.85 PRKD1 (0.53) PRKD1BCHEACHEMAPTSMN1; SMN2
SCHEMBL6923037 0.85 PRKD1 (0.70) PRKD1ERN1BCHEACHE
SCHEMBL17279929 0.85 PRKD1 (0.54) PRKD1BCHEACHEMAPTSMN1; SMN2
SCHEMBL936198 0.82 PRKD1 (0.53) PRKD1BCHEACHEMAPTSMN1; SMN2
SCHEMBL4887726 0.82 ERN1 (0.68) ERN1ALDH1A1GABRG2GABRB3GABRA5
SCHEMBL17279926 0.81 MAPT (0.54) PRKD1BCHEACHEMAPTSMN1; SMN2
SCHEMBL17279877 0.80 GAA (0.59) PRKD1BCHEACHEMAPTSMN1; SMN2
SCHEMBL14985491 0.80 GAA (0.63) BCHEACHEALDH1A1MAPTSMN1; SMN2

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