SCHEMBL20172350

SCHEMBL20172350

Sc1ccc2oc3cccnc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ PSMD14 O00487 3/20 0.35
▸ COPS5 Q92905 3/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ PDE4D Q08499 4/20 0.35
▸ HSP90AA1 P07900 4/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ TP53 P04637 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
SCHEMBL20172125 0.86 MEN1 (0.38) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL16482063 0.81 NPC1 (0.44) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL15835963 0.81 NPC1 (0.44) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL15835964 0.81 NPC1 (0.44) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL15317423 0.79 PIM1 (0.47) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL16482065 0.79 NPC1 (0.40) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL15889096 0.79 NPC1 (0.40) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL17490121 0.79 NPC1 (0.58) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL3661706 0.79 ALDH1A1 (0.54) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL13509561 0.79 NPC1 (0.41) NPC1MAPTKMT2AMEN1KDM4E

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
EP-2980182-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2018-05-23 — — EP disclosed
Send feedback