SCHEMBL9836985

SCHEMBL9836985

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
GPR35 Q9HC97 1/20 0.41
LMNA P02545 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PTPN7 P35236 1/20 0.39

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
SCHEMBL9834011 0.84 KDM4E (0.48) ALOX15MAPTLMNANPY1RNPY2R
SCHEMBL9837508 0.81 KMT2A (0.56) MEN1KMT2AALDH1A1ADORA2AADORA2B
SCHEMBL7330323 0.80 MAPT (0.65) ALOX15KMT2AMAPTLMNANPY1R
SCHEMBL9836752 0.78 GPR34 (0.56) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL10804020 0.77 GPR119 (0.46) GPR119ALDH1A1SMN1; SMN2KDM4EPDE2A
SCHEMBL9835637 0.76 KDM4E (0.59) KMT2AALDH1A1SMN1; SMN2KDM4EPDE3B
SCHEMBL10459751 0.75 ACHE (0.51) KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9834714 0.75 ACHE (0.48) KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL9835352 0.75 GPR119 (0.46) MEN1KMT2AMAPTLMNAGPR119
Water SCHEMBL9836678 0.74 ACHE (0.48) KMT2AALDH1A1SMN1; SMN2KDM4E

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 3 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
US-4898862-A 1,2,4-triazinone derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1990-02-06 US disclosed
EP-0238357-A2 1,2,4-Triazinone derivatives, their preparation and use Sankyo Company Limited (JP) 1987-09-23 EP disclosed