SCHEMBL9833975

SCHEMBL9833975

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
FAAH O00519 2/20 0.38
AHCY P23526 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
HTR4 Q13639 1/20 0.36

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 0.88 BCHE (0.49) BCHEACHEMEN1KMT2ATSHR
SCHEMBL9837010 0.85 HPGD (0.41) BCHEACHEFAAHSMN1; SMN2MEN1
SCHEMBL9836932 0.82 TSHR (0.43) BCHEACHEALDH1A1SMN1; SMN2HPGD
SCHEMBL9836532 0.81 PDE3B (0.35) SMN1; SMN2HTR4
SCHEMBL9835522 0.80 HPGD (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL9835976 0.79 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL9836412 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDGAA
SCHEMBL9834628 0.78 MAPT (0.43) ALDH1A1SMN1; SMN2HPGDPOLBGAA
SCHEMBL9837594 0.78 PDE3B (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL9835111 0.77 ALDH1A1 (0.53) BCHEACHEALDH1A1SMN1; SMN2KMT2A

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