SCHEMBL8876872

SCHEMBL8876872

N#CCc1c(OCc2ccccc2)ccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 2/20 0.52
PRMT5 O14744 2/20 0.52
WDR77 Q9BQA1 2/20 0.52
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ATP4A P20648 1/20 0.44

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
SCHEMBL28116865 0.82 LMNA (0.47) SMN1; SMN2RAB9AMAPTLMNAKMT2A
SCHEMBL8876988 0.80 NPC1 (0.57) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL8710773 0.78 MAPT (0.53) SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL5113336 0.77 NPC1 (0.43) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL24953210 0.75 HSD17B10 (0.63) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL31573987 0.75 KMT2A (0.48) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL31573991 0.75 KMT2A (0.48) SMN1; SMN2NPC1RAB9AMAPTL3MBTL1
SCHEMBL8406800 0.75 MAPK1 (0.47) SMN1; SMN2RAB9AMAPTL3MBTL1LMNA
SCHEMBL6036331 0.75 MAPK1 (0.51) NPC1RAB9AMAPTL3MBTL1LMNA
SCHEMBL7743971 0.75 RXRA (0.48) MAPTL3MBTL1LMNAKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594016-A ANTIDIABETIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0604983-B1 Naphthalene derivatives MITSUBISHI CHEM CORP (JP) 1996-11-20 EP disclosed
EP-0604983-A1 Naphthalene derivatives Mitsubishi Chemical Corporation (JP) 1994-07-06 EP disclosed