SCHEMBL6000956

SCHEMBL6000956

Clc1ccc(OCCc2cs[c]n2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
GPR84 Q9NQS5 1/20 0.42
KCNH2 Q12809 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2092867 0.85 MAPT (0.44) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2094912 0.71 HAO1 (0.47) KDM4EKCNH2MEN1KMT2APOLB
SCHEMBL12885024 0.69 KDM4E (0.69) KDM4EGPR84KCNH2SMN1; SMN2ALDH1A1
SCHEMBL13261015 0.69 KDM4E (0.64) KDM4EGPR84KCNH2SMN1; SMN2ALDH1A1
SCHEMBL7236230 0.67 KDM4E (0.56) KDM4EGPR84KCNH2SMN1; SMN2ALDH1A1
SCHEMBL7237460 0.67 KDM4E (0.61) KDM4EGPR84KCNH2SMN1; SMN2ALDH1A1
SCHEMBL6250500 0.67 MEN1 (0.43) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL17626133 0.66 EIF4E (0.43) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2095437 0.66 S1PR1 (0.35) HDAC6
SCHEMBL3298738 0.66 KDM4E (0.54) KDM4EGPR84KCNH2SMN1; SMN2ALDH1A1

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed