SCHEMBL17816616

SCHEMBL17816616

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc4c5ccccc5c5ccccc5c5ccccc5c5ccccc5c4c3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ PTBP1 P26599 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GALK1 P51570 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SMAD3 P84022 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ METAP2 P50579 1/20 0.32
▸ CRHR1 P34998 1/20 0.31

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
SCHEMBL23449511 0.95 MEN1 (0.35) MEN1APAF1NPC1LMNAMAPT
SCHEMBL24029533 0.94 MAPT (0.34) MEN1APAF1NPC1LMNAMAPT
SCHEMBL24029649 0.92 CRHR1 (0.33) MEN1APAF1NPC1LMNAMAPT
SCHEMBL21764381 0.92 CRHR1 (0.33) MEN1APAF1NPC1LMNAMAPT
SCHEMBL24029642 0.92 CRHR1 (0.33) MEN1APAF1NPC1LMNAMAPT
SCHEMBL24029644 0.92 CRHR1 (0.33) MEN1APAF1NPC1LMNAMAPT
SCHEMBL26339185 0.91 ESR1 (0.31) METAP2
SCHEMBL26339160 0.91 ESR1 (0.31) METAP2
SCHEMBL15306214 0.90 CRHR1 (0.33) MEN1APAF1NPC1LMNAMAPT
SCHEMBL21168473 0.90 MEN1 (0.33) MEN1APAF1NPC1LMNAMAPT

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-2016087017-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-06-09 — — WO disclosed
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