SCHEMBL16802256

SCHEMBL16802256

O=C1CCc2ccccc2-c2ccc(-c3ccccc3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
NPC1 O15118 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
APAF1 O14727 1/20 0.56
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
XBP1 P17861 1/20 0.56
PTBP1 P26599 1/20 0.56
HTT P42858 1/20 0.56
GALK1 P51570 1/20 0.56
BLM P54132 1/20 0.56
SMAD3 P84022 1/20 0.56
ATM Q13315 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B1 P14061 4/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL7180348 0.86 MEN1 (0.56) MEN1NPC1MAPTKMT2ASMN1; SMN2
Biphenyl SCHEMBL3089519 0.84 MAOB (0.63) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL1745161 0.82 HSD17B1 (0.71) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL31157901 0.80 CES1 (0.62) L3MBTL1PARP10PARP11SRD5A1SRD5A2
SCHEMBL2686810 0.80 CES1 (0.62) L3MBTL1PARP10PARP11SRD5A1SRD5A2
SCHEMBL1305703 0.79 CES1 (0.59) MEN1NPC1MAPTKMT2ASMN1; SMN2
Benzene SCHEMBL28357254 0.78 MAOB (0.71) L3MBTL1LMNAKDM4EALDH1A1HPGD
SCHEMBL10045662 0.77 TDP2 (0.49) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL10045703 0.77 TYRO3 (0.56) MEN1NPC1MAPTKMT2ASMN1; SMN2
SCHEMBL10045704 0.77 TYRO3 (0.56) MEN1NPC1MAPTKMT2ASMN1; SMN2

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-2015082056-A1 COMPOUNDS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-11 WO disclosed