SCHEMBL935676

SCHEMBL935676

C[C@H](C#N)NC(=O)c1cccc(-c2cc(-c3cccc(CNC4CCOCC4)c3)on2)c1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 11/20 0.88
PRKD3 O94806 1/20 0.88
PRKD2 Q9BZL6 1/20 0.88
PRMT5 O14744 1/20 0.41
ATM Q13315 1/20 0.41
ATR Q13535 1/20 0.41
MAP4K4 O95819 1/20 0.41
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
CTSS P25774 3/20 0.38
CTSV O60911 2/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL936438 0.93 PRKD1 (1.00) PRKD1PRKD3PRKD2PRMT5ATM
SCHEMBL936439 0.93 PRKD1 (1.00) PRKD1PRKD3PRKD2PRMT5ATM
SCHEMBL6924103 0.93 PRKD1 (1.00) PRKD1PRKD3PRKD2PRMT5ATM
SCHEMBL936535 0.88 PRKD1 (0.79) PRKD1PRKD3PRKD2ATMATR
SCHEMBL938258 0.85 PRKD1 (0.85) PRKD1PRKD3PRKD2PRMT5ATM
SCHEMBL6924074 0.84 PRKD1 (1.00) PRKD1PRKD3PRKD2PRMT5ATM
SCHEMBL936935 0.83 PRKD1 (0.81) PRKD1PRKD3PRKD2MAP4K4
SCHEMBL936937 0.83 PRKD1 (0.81) PRKD1PRKD3PRKD2MAP4K4
SCHEMBL936479 0.83 PRKD1 (0.81) PRKD1PRKD3PRKD2PRMT5ATM
SCHEMBL6923622 0.82 PRKD1 (0.80) PRKD1PRKD3PRKD2PRMT5ATM

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