SCHEMBL5897076

SCHEMBL5897076

[c]1cc(NCCCN2CCOCC2)nc(N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.46
▸ GAA P10253 6/20 0.46
▸ GLA P06280 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ PIM1 P11309 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PKM P14618 2/20 0.41

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
SCHEMBL5897222 0.87 ALDH1A1 (0.44) GLAALDH1A1TSHRMAPTCYP2D6
SCHEMBL5897067 0.85 ALDH1A1 (0.43) GLAKMT2AALDH1A1HPGDTSHR
SCHEMBL7683991 0.85 ALDH1A1 (0.43) GLAALDH1A1TSHRMAPTCYP2D6
SCHEMBL7683687 0.83 PIK3CB (0.39) GLAKMT2APOLBALDH1A1TSHR
SCHEMBL5897648 0.80 PIK3CB (0.40) GLAKMT2ALMNAALDH1A1TSHR
SCHEMBL5897416 0.78 KMT2A (0.39) KDM4EGLARAB9AKMT2ANPC1
SCHEMBL5897116 0.74 PIK3CB (0.37) GAAGLAKMT2ALMNAPOLB
SCHEMBL951715 0.70 KDM4E (0.49) KDM4EGAAGLARAB9AKMT2A
SCHEMBL3114904 0.68 POLB (0.54) KDM4EGAAGLARAB9AKMT2A
SCHEMBL949299 0.68 KDM4E (0.48) KDM4EGAAGLARAB9AKMT2A

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-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 — — US disclosed
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