SCHEMBL9837010

SCHEMBL9837010

CC1NC(=O)NN=C1c1ccc(OCC(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
FAAH O00519 1/20 0.40
KCNA5 P22460 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL9835465 0.86 BCHE (0.49) KMT2AMEN1BCHEACHELMNA
SCHEMBL9833975 0.85 BCHE (0.39) HPGDKMT2AMEN1BCHEACHE
SCHEMBL9836932 0.80 TSHR (0.43) HPGDUSP2KDM4EBCHEACHE
SCHEMBL9835522 0.78 HPGD (0.45) HPGDUSP2KDM4EKMT2AMEN1
SCHEMBL10768462 0.77 HPGD (0.41) HPGDUSP2KDM4EKMT2AMEN1
SCHEMBL9835976 0.77 SMN1; SMN2 (0.47) HPGDUSP2KDM4ESMN1; SMN2LMNA
SCHEMBL9836412 0.77 ALDH1A1 (0.51) HPGDSMN1; SMN2LMNA
SCHEMBL9834628 0.76 MAPT (0.43) HPGDKDM4ESMN1; SMN2LMNA
SCHEMBL9837594 0.76 PDE3B (0.41) HPGDKDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL9836049 0.76 MEN1 (0.50) HPGDKMT2AMEN1SMN1; SMN2THRB

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