SCHEMBL13858810

SCHEMBL13858810

O=C(O)NCc1n[nH]c(=O)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.66
▸ POLB P06746 2/20 0.66
▸ LMNA P02545 2/20 0.65
▸ BRD4 O60885 1/20 0.61
▸ TDP1 Q9NUW8 2/20 0.60
▸ KMT2A Q03164 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ THRB P10828 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ AR P10275 3/20 0.58
▸ PARP1 P09874 1/20 0.58
▸ PRMT5 O14744 1/20 0.57
▸ HIF1A Q16665 1/20 0.56

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
SCHEMBL6340069 0.87 BRD4 (0.75) KDM4EPOLBLMNABRD4TDP1
SCHEMBL17444767 0.87 KDM4E (0.73) KDM4EPOLBLMNABRD4TDP1
SCHEMBL4713932 0.86 SMN1; SMN2 (0.61) KDM4EPOLBLMNABRD4TDP1
SCHEMBL25231678 0.83 KDM4E (0.49) KDM4EPOLBALDH1A1GAASMN1; SMN2
SCHEMBL27002224 0.80 BRD4 (0.51) KDM4EPOLBLMNABRD4TDP1
SCHEMBL2610104 0.80 KDM4E (1.00) KDM4EPOLBLMNATDP1KMT2A
SCHEMBL25215003 0.80 ROCK2 (0.77) KDM4EPOLB
SCHEMBL5165966 0.79 MAPT (0.78) KDM4EPOLBLMNAKMT2AMAPT
SCHEMBL17444764 0.79 TDP1 (0.57) KDM4EPOLBLMNABRD4TDP1
SCHEMBL17444766 0.79 KDM4E (0.60) KDM4EPOLBLMNABRD4TDP1

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
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO disclosed
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