SCHEMBL4958786

SCHEMBL4958786

O=C(OCC(c1ccccc1Cl)n1ncnn1)N1CCCC(Cn2ncnn2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GRM5 P41594 1/20 0.32
GRM7 Q14831 1/20 0.32
GRM3 Q14832 1/20 0.32
NPC1 O15118 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
KDM2B Q8NHM5 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
SCHEMBL4958443 0.90 POLB (0.39) POLBPRMT5WDR77ALDH1A1NPC1
SCHEMBL4959588 0.85 PSEN1 (0.38)
SCHEMBL4308697 0.82 POLB (0.36) POLBALDH1A1GRM5GRM7GRM3
SCHEMBL4959675 0.81 FAAH (0.39) PRMT5WDR77KMT2A
SCHEMBL4958229 0.81 PRMT5 (0.41) PRMT5WDR77NPC1
SCHEMBL4959925 0.79 ENPP2 (0.43)
SCHEMBL4957412 0.79 FAAH (0.47) PRMT5WDR77ALDH1A1KMT2A
SCHEMBL4308048 0.78 POLB (0.35) POLBALDH1A1GRM5GRM7GRM3
SCHEMBL4958190 0.78 MGLL (0.42) ALDH1A1NPC1KMT2A
SCHEMBL4958259 0.78 FAAH (0.41) PRMT5WDR77ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed