SCHEMBL5593243

SCHEMBL5593243

COc1cccc(CN(C)C(=O)c2cc(-c3cc(NC(=O)c4cc(C(C)(C)C)cc(C#N)c4OC)ccc3C)no2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4410261 0.95 NPC1 (0.39) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4409883 0.90 MAPK14 (0.36) SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL4413425 0.89 GAA (0.39) RAB9ASMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL4411278 0.89 MAPT (0.37) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL4412714 0.88 MAPT (0.35) SMN1; SMN2MAPTGAALMNATHRB
SCHEMBL4411132 0.81 BRAF (0.38) KMT2AMAPTMEN1THRB
SCHEMBL4410028 0.80 MAPT (0.38) SMN1; SMN2MAPTTHRBKDM4E
SCHEMBL4565792 0.80 MAPT (0.41) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL5603582 0.79 MAPK14 (0.37) SMN1; SMN2MAPTALDH1A1KDM4EPOLB
SCHEMBL4410129 0.78 MEN1 (0.44) NPC1RAB9AHTTSMN1; SMN2KMT2A

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed