SCHEMBL8918895

SCHEMBL8918895

CCCC(=O)Nc1cc(OC)ccc1OC

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.71
NPSR1 Q6W5P4 1/20 0.71
POLB P06746 2/20 0.66
LMNA P02545 1/20 0.64
GAA P10253 4/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPK1 P28482 2/20 0.63
KDM4E B2RXH2 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
MAPT P10636 2/20 0.60
TP53 P04637 1/20 0.60
MTNR1B P49286 1/20 0.60
MEN1 O00255 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL8368156 0.89 GAA (0.76) KMT2ANPSR1POLBLMNAGAA
SCHEMBL17817424 0.89 GAA (0.76) KMT2ANPSR1POLBLMNAGAA
SCHEMBL6594370 0.88 KMT2A (0.75) KMT2ANPSR1POLBLMNAGAA
SCHEMBL6593284 0.87 KMT2A (0.69) KMT2ANPSR1POLBLMNAGAA
SCHEMBL9095943 0.85 POLB (0.64) KMT2APOLBLMNAGAAALDH1A1
SCHEMBL5807392 0.84 KMT2A (0.75) KMT2ANPSR1POLBLMNAGAA
SCHEMBL9316115 0.84 POLB (0.69) KMT2ANPSR1POLBLMNAGAA
SCHEMBL1754877 0.84 POLB (0.65) KMT2ANPSR1POLBLMNAGAA
SCHEMBL3757797 0.83 KMT2A (0.73) KMT2ANPSR1POLBLMNAGAA
SCHEMBL20189628 0.83 KMT2A (0.73) KMT2ANPSR1POLBLMNAGAA

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
US-5605905-A DIAZAQUINOMICIN ANALOGS UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 1997-02-25 US disclosed
EP-0574195-A1 Antitumoral aza- and diazaanthracenes UNIVERSIDAD COMPLUTENSE DE MADRID (ES) 1993-12-15 EP disclosed