SCHEMBL9568858

SCHEMBL9568858

O=C(Cn1nnnc1-c1sccc1CCCc1ccccc1)OCCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LTB4R Q15722 7/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GHSR Q92847 1/20 0.36
DAGLA Q9Y4D2 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL9568725 0.80 POLB (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL9568925 0.75 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL9568841 0.74 KMT2A (0.51) ALDH1A1KMT2APOLBNPC1RAB9A
SCHEMBL9568739 0.73 MAPK1 (0.37) ALDH1A1GHSRNPSR1
SCHEMBL9568720 0.72 MAPK1 (0.43) ALDH1A1
SCHEMBL9568735 0.69 MAPK1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL9557277 0.69 MAPK1 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL9568919 0.69 ALDH1A1 (0.39) ALDH1A1POLBLMNANPSR1
SCHEMBL9568758 0.68 ALDH1A1 (0.41) ALDH1A1KMT2APOLBLMNANPSR1
SCHEMBL8792691 0.67 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1POLB

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-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed