SCHEMBL6923596

SCHEMBL6923596

CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(N4CCOCC4)cc3)on2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 11/20 0.68
PRKD3 O94806 1/20 0.54
PRKD2 Q9BZL6 1/20 0.54
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
MTOR P42345 1/20 0.45
MLLT1 Q03111 1/20 0.45
BTK Q06187 1/20 0.44
JAK2 O60674 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL957994 0.91 PRKD1 (0.81) PRKD1PRKD3PRKD2ALDH1A1MAPT
SCHEMBL964036 0.90 PRKD1 (0.66) PRKD1PRKD3PRKD2RAB9ASMN1; SMN2
SCHEMBL958900 0.88 PRKD1 (0.77) PRKD1PRKD3PRKD2ALDH1A1MLLT1
SCHEMBL6923075 0.85 PRKD1 (0.63) PRKD1PRKD3PRKD2SMN1; SMN2ALDH1A1
SCHEMBL6922372 0.83 PRKD1 (0.70) PRKD1PRKD3PRKD2ALDH1A1MLLT1
SCHEMBL937644 0.83 NPC1 (0.67) PRKD1PRKD3PRKD2RAB9ASMN1; SMN2
SCHEMBL6923851 0.83 PRKD1 (0.63) PRKD1PRKD3PRKD2RAB9ASMN1; SMN2
SCHEMBL959487 0.82 PRKD1 (0.76) PRKD1PRKD3PRKD2
SCHEMBL959488 0.82 PRKD1 (0.76) PRKD1PRKD3PRKD2
SCHEMBL966138 0.82 PRKD1 (0.62) PRKD1PRKD3PRKD2RAB9ASMN1; 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 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