SCHEMBL20059945

SCHEMBL20059945

C/C(NCCCN(C)C)=C1/C(=N)CCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.33
LMNA P02545 1/20 0.33
DNM1 Q05193 1/20 0.33
HPGD P15428 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 1/20 0.32
PAOX Q6QHF9 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL20059924 0.77 ALDH1A1 (0.35) KDM4EHPGDALDH1A1
SCHEMBL20060202 0.76 KDM4E (0.34) KDM4EPOLBDNM1HPGDALDH1A1
SCHEMBL27035889 0.72 KDM4E (0.36) KDM4EPOLBDNM1HPGDTSHR
SCHEMBL27035893 0.69 KDM4E (0.34) KDM4EPOLBDNM1PAOXALDH1A1
SCHEMBL27035886 0.68 KDM4E (0.36) KDM4EPOLBDNM1TSHRPAOX
SCHEMBL1176631 0.64 ALDH1A1 (0.47) KDM4EDNM1HPGDTSHRPAOX
SCHEMBL20060140 0.64
SCHEMBL20060158 0.64 TP53 (0.39) POLB
SCHEMBL20059919 0.63 MEN1 (0.35) ALDH1A1
SCHEMBL27035906 0.63 ALDH1A1 (0.35) KDM4EPOLBLMNADNM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595987-B1 NEW AMINOPYRAZOLOQUINAZOLINES BOEHRINGER INGELHEIM INT (DE) 2018-04-18 EP disclosed