SCHEMBL7996315

SCHEMBL7996315

COC(=O)NCCCCC#N

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
MGLL Q99685 2/20 0.39
ACHE P22303 7/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 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
SCHEMBL13079149 0.98 EPHX1 (0.60) EPHX1MGLLACHETDP1KDM4E
SCHEMBL10244410 0.85
SCHEMBL7252127 0.82 EPHX1 (0.77) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL5558068 0.82 TDP1 (0.62) TDP1MEN1GAAKMT2A
SCHEMBL6971556 0.82 EPHX1 (0.59) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL21233506 0.80 TDP1 (0.65) TDP1MEN1GAAKMT2A
SCHEMBL14252129 0.80 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7788569 0.80 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7788927 0.80 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1
SCHEMBL7788937 0.80 EPHX1 (0.82) EPHX1ACHETDP1KDM4EMAPK1

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
US-6284892-B1 Method for producing salts of cyclic amidines DEGUSSA HUELS AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
US-5705639-A Process to prepare herbicidal bicyclic triazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-01-06 US disclosed
EP-0690844-B1 PROCESS TO PREPARE HERBICIDAL BICYCLIC TRIAZOLES DU PONT (US) 1997-10-22 EP disclosed
EP-0690844-A1 PROCESS TO PREPARE HERBICIDAL BICYCLIC TRIAZOLES DU PONT (US) 1996-01-10 EP disclosed
WO-1994022828-A1 PROCESS TO PREPARE HERBICIDAL BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-10-13 WO disclosed