SCHEMBL8594945

SCHEMBL8594945

C=Cc1cc(OCC)ccc1N(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ THRB P10828 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ HPGD P15428 2/20 0.36

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
SCHEMBL8597600 0.87 NQO1 (0.42) NQO1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL16959829 0.77 NQO1 (0.46) NQO1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL10998181 0.77 NQO1 (0.46) NQO1KDM4EKMT2AMEN1NPC1
SCHEMBL8173931 0.77 NQO1 (0.46) NQO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16956264 0.76 NQO1 (0.45) NQO1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL16951834 0.76 NQO1 (0.45) NQO1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6673034 0.76 ALDH1A1 (0.45) NQO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16310074 0.76 NQO1 (0.45) NQO1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL8905764 0.76 NQO1 (0.45) NQO1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL16961306 0.76 NQO1 (0.45) NQO1ALDH1A1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561379-B1 Filter medium having a limited surface negative charge for treating a blood material ASAHI MEDICAL CO (JP) 1998-07-08 — — EP disclosed
EP-0561379-A1 Filter medium having a limited surface negative charge for treating a blood material ASAHI MEDICAL Co., Ltd. (JP) 1993-09-22 — — EP disclosed
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