SCHEMBL21186232

SCHEMBL21186232

Nc1ccc(Oc2cncc(Cl)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
POLB P06746 2/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 1/20 0.51
BRCA1 P38398 1/20 0.51
HBB P68871 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KEAP1 Q14145 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR2 P41597 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
SCHEMBL6506490 0.81 KDM4E (0.68) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL4695678 0.80 MAOA (0.59) POLBMEN1KMT2AALDH1A1GAA
SCHEMBL4059342 0.80 KDM4E (0.69) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL4230114 0.78 KDM4E (0.61) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL14030056 0.77 KDM4E (0.51) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL14005479 0.77 KDM4E (0.68) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL2560279 0.77 GAA (0.49) KMT2AGAAHTTCHRNB2CHRNA4
SCHEMBL6506841 0.75 KDM4E (0.75) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL1563961 0.75 GAA (0.54) GAAHTTCHRNB2CHRNA4CYP2C9
SCHEMBL1498279 0.75 KDM4E (0.65) KDM4EPOLBMEN1KMT2AALDH1A1

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
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed