SCHEMBL8570905

SCHEMBL8570905

CCON=C(C#N)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX12 P18054 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.31

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
SCHEMBL11786885 1.00 CYP2C9 (0.44) CYP2C9MAPTCYP1A2ALOX12CYP3A4
SCHEMBL8570901 1.00 CYP2C9 (0.44) CYP2C9MAPTCYP1A2ALOX12CYP3A4
SCHEMBL21620362 0.83 MAPT (0.36) CYP2C9MAPTCYP1A2ALOX12CYP3A4
SCHEMBL1178873 0.82 ALDH1A1 (0.35) CYP2C9MAPTCYP1A2ALOX12CYP3A4
SCHEMBL21620323 0.80 MAPT (0.40) CYP2C9MAPTCYP1A2ALOX12CYP3A4
Acetic Acid SCHEMBL9021992 0.80 CYP1A2 (0.34) CYP2C9MAPTCYP1A2ALOX12CYP3A4
SCHEMBL13748906 0.80 KMT2A (0.35) CYP2C9MAPTCYP1A2ALOX12CYP3A4
SCHEMBL7463642 0.80 MAPT (0.35) CYP2C9MAPTCYP1A2ALOX12CYP3A4
SCHEMBL7463639 0.80 MAPT (0.35) CYP2C9MAPTCYP1A2ALOX12CYP3A4
SCHEMBL21620286 0.79 MAPT (0.38) CYP2C9MAPTCYP1A2ALOX12CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773624-A Method for preparing 5-amino-1,2,4-thiadiazol acetic acid derivatives KATAYAMA SEIYAKUSYO CO., LTD. (JP) 1998-06-30 US disclosed
EP-0795551-A1 Method for preparing 5-amino-1,2,4-thiadiazol acetic acid derivatives KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1997-09-17 EP disclosed
EP-0303934-A1 2-Cyano-2-oximino-acetamides BAYER AG (DE) 1989-02-22 EP disclosed
EP-0000023-B1 OMEGA-SUBSTITUTED PENTYL UREAS, THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1980-07-23 EP disclosed
US-4188401-A Combating fungi with 1-(ω-substituted pentyl)-3-(2-cyano-acetyl)-ureas BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed
EP-0000023-A1 Omega-substituted pentyl ureas, their preparation and their use as fungicides BAYER AG (DE) 1978-12-20 EP disclosed
US-3979518-A PLANTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-07 US disclosed