SCHEMBL4960982

SCHEMBL4960982

O=C(c1ccc(F)cc1)C1CCN(C(=O)OCC(c2ccccc2Cl)n2ncnn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.44
BLM P54132 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MGLL Q99685 1/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4959706 0.93 MGLL (0.46) MGLLKMT2A
SCHEMBL4958190 0.93 MGLL (0.42) HSD11B1SMN1; SMN2ALDH1A1MGLLKMT2A
SCHEMBL4959344 0.90 MGLL (0.46) HSD11B1SMN1; SMN2ALDH1A1POLBMGLL
SCHEMBL4959460 0.87 MEN1 (0.41) ALDH1A1POLBKMT2A
SCHEMBL4958443 0.81 POLB (0.39) SMN1; SMN2ALDH1A1POLB
SCHEMBL4957412 0.81 FAAH (0.47) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4959588 0.81 PSEN1 (0.38)
SCHEMBL4958259 0.80 FAAH (0.41) ALDH1A1MGLLKMT2A
SCHEMBL4310209 0.79 HSD11B1 (0.48) HSD11B1SMN1; SMN2ALDH1A1BLMPOLB
SCHEMBL4958536 0.79 FAAH (0.41) KMT2A

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