SCHEMBL6924745

SCHEMBL6924745

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 9/20 0.54
CXCR1 P25024 3/20 0.46
PRKD3 O94806 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
FYN P06241 1/20 0.42
MLLT1 Q03111 1/20 0.41
KDR P35968 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6924477 0.84 PRKD1 (0.56) PRKD1PRKD3PRKD2FYN
SCHEMBL6922447 0.79 PRKD1 (0.53) PRKD1CXCR1PRKD3PRKD2NPC1
SCHEMBL937644 0.79 NPC1 (0.67) PRKD1PRKD3PRKD2NPC1RAB9A
SCHEMBL6923851 0.79 PRKD1 (0.63) PRKD1PRKD3PRKD2NPC1RAB9A
SCHEMBL966138 0.78 PRKD1 (0.62) PRKD1PRKD3PRKD2NPC1RAB9A
SCHEMBL6922488 0.78 PRKD1 (0.62) PRKD1PRKD3PRKD2NPC1RAB9A
SCHEMBL959797 0.78 PRKD1 (0.58) PRKD1PRKD3PRKD2NPC1RAB9A
SCHEMBL960868 0.77 PRKD1 (0.55) PRKD1PRKD3PRKD2ALDH1A1
SCHEMBL6923793 0.77 PRKD1 (0.55) PRKD1CXCR1PRKD3PRKD2NPC1
SCHEMBL6923923 0.77 PRKD1 (0.82) PRKD1PRKD3PRKD2NPC1RAB9A

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