SCHEMBL18993748

SCHEMBL18993748

CCCCN(CCCC)c1cc(C(=O)O)cc(NCc2ccoc2)c1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SLC12A2 P55011 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HDAC8 Q9BY41 2/20 0.36
▸ AQP1 P29972 1/20 0.35
▸ FAAH O00519 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL21018922 0.92 LMNA (0.50) ALDH1A1BLMLMNAKDM4EUSP2
SCHEMBL2741957 0.90 LMNA (0.52) ALDH1A1BLMLMNAKDM4EUSP2
SCHEMBL18993636 0.86 ALDH1A1 (0.60) ALDH1A1BLMLMNAKDM4EUSP2
SCHEMBL2741959 0.84 ALDH1A1 (0.54) ALDH1A1BLMLMNAKDM4EUSP2
SCHEMBL18993689 0.84 LMNA (0.46) ALDH1A1BLMLMNAKDM4EUSP2
SCHEMBL18993691 0.84 LMNA (0.46) ALDH1A1BLMLMNAKDM4EUSP2
SCHEMBL18993679 0.83 ALDH1A1 (0.46) ALDH1A1BLMLMNAKDM4EUSP2
SCHEMBL2741953 0.81 LMNA (0.50) ALDH1A1BLMLMNAKDM4EUSP2
SCHEMBL2877269 0.80 LMNA (0.49) ALDH1A1BLMLMNAKDM4EUSP2
SCHEMBL2741952 0.80 LMNA (0.49) ALDH1A1BLMLMNAKDM4EUSP2

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
US-9682928-B2 Bumetanide analogs, compositions and methods of use NEUROPRO THERAPEUTICS, INC. (US) 2017-06-20 — — US disclosed
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