SCHEMBL9834522

SCHEMBL9834522

CCOC(=O)COc1ccc(C2=NNC(=O)NC2C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
P2RX3 P56373 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ADRB3 P13945 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9836476 0.87 TDP1 (0.48) TDP1PDE3BPDE3APDE4APDE4B
SCHEMBL9837594 0.83 PDE3B (0.41) ALDH1A1TDP1PDE3BPDE3APDE4A
SCHEMBL9836932 0.83 TSHR (0.43) ALDH1A1L3MBTL1PDE3BPDE3APDE4A
SCHEMBL9835522 0.82 HPGD (0.45) ALDH1A1L3MBTL1PDE3BPDE3APDE4A
SCHEMBL9835928 0.82 KMT2A (0.48) ALDH1A1PDE3BPDE3AGAAMAPT
SCHEMBL9836049 0.81 MEN1 (0.50) ALDH1A1PDE3BPDE3APDE4APDE4B
SCHEMBL9835976 0.81 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1PDE3BPDE3APDE4A
SCHEMBL9834628 0.80 MAPT (0.43) ALDH1A1PDE3BPDE3APDE4APDE4B
SCHEMBL10760597 0.78 PDE3B (0.42) ALDH1A1PDE3BPDE3APDE4APDE4B
SCHEMBL9836264 0.77 PDE3B (0.38) PDE3BPDE3APDE4APDE4BPDE4C

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