SCHEMBL9837508

SCHEMBL9837508

O=C(COc1ccc(C2=NNC(=O)NC2)cc1)NCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 6/20 0.48
ADORA2B P29275 3/20 0.47
ADORA3 P0DMS8 2/20 0.47
ADORA2A P29274 2/20 0.47
ADAMTS5 Q9UNA0 2/20 0.47
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
ADORA1 P30542 1/20 0.47
NPC1 O15118 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9836752 0.83 GPR34 (0.56) KMT2AALDH1A1MEN1
SCHEMBL10806580 0.82 KMT2A (0.57) KMT2AHPGDCYP2C19L3MBTL1CYP2C9
SCHEMBL9836985 0.81 ALOX15 (0.42) KMT2AHPGDCYP2C19ALDH1A1ADORA2B
SCHEMBL9273340 0.79 KMT2A (0.84) KMT2AHPGDCYP2C19L3MBTL1CYP2C9
SCHEMBL9835637 0.78 KDM4E (0.59) KMT2AALDH1A1POLBKDM4E
SCHEMBL9273628 0.77 KMT2A (0.82) KMT2AHPGDCYP2C19L3MBTL1CYP2C9
SCHEMBL9838462 0.77 GPR132 (0.48)
SCHEMBL9834714 0.77 ACHE (0.48) KMT2AL3MBTL1ALDH1A1POLBKDM4E
SCHEMBL10459751 0.77 ACHE (0.51) KMT2AALDH1A1POLBKDM4E
Water SCHEMBL9836672 0.76 ACHE (0.48) KMT2AL3MBTL1ALDH1A1POLBKDM4E

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
EP-0238357-B1 1,2,4-TRIAZINONE DERIVATIVES, THEIR PREPARATION AND USE Sankyo Company Limited (JP) 1991-05-29 EP disclosed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP disclosed