SCHEMBL20060202

SCHEMBL20060202

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.32
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
DNM1 Q05193 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL20059945 0.76 DPP7 (0.35) KDM4EPOLBALDH1A1DNM1HPGD
SCHEMBL27035889 0.66 KDM4E (0.36) KDM4EPOLBHTTMEN1ALDH1A1
SCHEMBL27035893 0.62 KDM4E (0.34) KDM4EPOLBHTTMEN1ALDH1A1
SCHEMBL27035886 0.61 KDM4E (0.36) KDM4EPOLBHTTMEN1ALDH1A1
SCHEMBL1176631 0.61 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1KMT2ADNM1
Hydrochloric Acid SCHEMBL538616 0.59 ALDH1A1 (0.47) KDM4EHTTMEN1ALDH1A1KMT2A
SCHEMBL4717223 0.59 KDM4E (0.44) KDM4EPOLBALDH1A1DNM1HPGD
SCHEMBL427283 0.59 KDM4E (0.61) KDM4EPOLBHTTMEN1ALDH1A1
SCHEMBL7305937 0.57 DNM1 (0.52) KDM4EPOLBHTTMEN1ALDH1A1
SCHEMBL10046070 0.57 DNM1 (0.43) KDM4EPOLBALDH1A1DNM1HPGD

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