SCHEMBL28115080

SCHEMBL28115080

O=C(OCOc1cccc(Cl)c1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 2/20 0.59
USP2 O75604 2/20 0.59
ALOX15 P16050 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NOTUM Q6P988 1/20 0.55
KMT2A Q03164 6/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
AGTR1 P30556 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 2/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL28115078 0.85 LMNA (0.65) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL28115077 0.77 KMT2A (0.68) ALDH1A1KDM4EUSP2KMT2ALMNA
SCHEMBL28115079 0.77 KMT2A (0.68) ALDH1A1USP2KMT2ALMNAMEN1
SCHEMBL8635324 0.75 LMNA (0.59) ALDH1A1KDM4EUSP2KMT2ALMNA
SCHEMBL27837743 0.74 LMNA (0.64) ALDH1A1KDM4EUSP2ALOX15KMT2A
SCHEMBL28805316 0.73 L3MBTL1 (0.53) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL13195186 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EUSP2KMT2ALMNA
SCHEMBL27997536 0.73 L3MBTL1 (0.71) ALDH1A1KDM4EUSP2KMT2ALMNA
SCHEMBL11607645 0.73 KDM4E (0.56) ALDH1A1KDM4EUSP2ALOX15NPSR1
SCHEMBL837646 0.73 LMNA (0.64) ALDH1A1KDM4EUSP2KMT2ALMNA

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
CN-106146490-A 5-hydroxyl-1,7-naphthyridine compounds, its preparation method and the pharmaceutical applications thereof replaced by aryloxy group or heteroaryloxy 沈阳三生制药有限责任公司 2016-11-23 CN disclosed