SCHEMBL935948

SCHEMBL935948

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
APP P05067 2/20 0.55
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
CA12 O43570 1/20 0.54
ALPL P05186 1/20 0.54
CD74 P04233 1/20 0.51
MIF P14174 1/20 0.51
PRKD1 Q15139 2/20 0.49
HPGDS O60760 1/20 0.49
MAPK1 P28482 2/20 0.48
MAP2K4 P45985 1/20 0.48
MAPKAPK3 Q16644 1/20 0.48
MAPK6 Q16659 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL17336859 0.88 RAB9A (0.62) BCHEACHERAB9APOLBCD74
SCHEMBL1505323 0.87 MAP2K4 (0.55) BCHEACHERAB9APOLBCA12
SCHEMBL26477869 0.84 RAF1 (0.55) BCHEACHERAB9APOLBCD74
SCHEMBL936143 0.84 PRKD1 (0.54) BCHEACHEAPPRAB9AALPL
SCHEMBL12172053 0.84 BCHE (0.54) BCHEACHERAB9APOLBCD74
SCHEMBL1180980 0.83 APP (0.62) APPRAB9APOLBHPGDSMAPK1
SCHEMBL13885580 0.83 RAB9A (0.79) APPRAB9APOLBCA12ALPL
SCHEMBL17279935 0.81 RAB9A (0.60) BCHEACHERAB9APOLBPRKD1
SCHEMBL936452 0.81 PRKD1 (0.74) BCHEACHEAPPPRKD1
SCHEMBL1505270 0.80 PRKD1 (0.50) BCHEACHERAB9APOLBCD74

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