SCHEMBL12333232

SCHEMBL12333232

Bc1cc2c3c(c1)C(C)(C)c1ccccc1N3c1ccccc1O2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
P2RX4 Q99571 4/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL24390060 0.84 P2RX4 (0.35) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL2453063 0.84 KMT2A (0.37) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL2453082 0.83 AHR (0.37) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL24428116 0.82 P2RX4 (0.39) MAPTSMN1; SMN2NPSR1P2RX4
SCHEMBL16596831 0.78 LPL (0.35) MAPTSMN1; SMN2NPSR1
SCHEMBL12723354 0.78 MAPT (0.37) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL15434786 0.78 KMT2A (0.36) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL9886660 0.76 MAPT (0.34) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL9886636 0.76 MAPT (0.34) MAPTSMN1; SMN2NPSR1KMT2AHTT
SCHEMBL9886694 0.75 MAPT (0.33) MAPTSMN1; SMN2NPSR1KMT2AHTT

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-2011107186-A2 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-09 WO disclosed