SCHEMBL962933

SCHEMBL962933

C[C@H](C#N)NC(=O)c1cccc(-c2cc(-c3ccc(CN(C(=O)C(F)(F)F)C4CCOCC4)cc3)on2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 12/20 0.71
PRKD3 O94806 1/20 0.71
PRKD2 Q9BZL6 1/20 0.71
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CTSL P07711 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
CCR2 P41597 2/20 0.33

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
SCHEMBL962934 1.00 PRKD1 (0.71) PRKD1PRKD3PRKD2HDAC1HDAC8
SCHEMBL936584 0.86 PRKD1 (0.60) PRKD1PRKD3PRKD2
SCHEMBL936583 0.86 PRKD1 (0.60) PRKD1PRKD3PRKD2
SCHEMBL936438 0.83 PRKD1 (1.00) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936439 0.83 PRKD1 (1.00) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL6924103 0.83 PRKD1 (1.00) PRKD1PRKD3PRKD2PPARGPPARA
SCHEMBL936937 0.81 PRKD1 (0.81) PRKD1PRKD3PRKD2
SCHEMBL936935 0.81 PRKD1 (0.81) PRKD1PRKD3PRKD2
SCHEMBL935676 0.79 PRKD1 (0.88) PRKD1PRKD3PRKD2CTSLPPARG
SCHEMBL938421 0.78 PRKD1 (0.81) PRKD1PRKD3PRKD2CTSLPPARG

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