SCHEMBL6002698

SCHEMBL6002698

O=C(CCO)NC1CCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 1/20 0.59
HPGD P15428 3/20 0.57
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
NCOR2 Q9Y618 1/20 0.55
EPHX1 P07099 5/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6002712 0.93 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL6003255 0.93 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL1698453 0.93 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL6003417 0.91
SCHEMBL6002695 0.82 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL10587847 0.81 ALDH1A1 (0.83) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL2096797 0.81
SCHEMBL11212248 0.81 KMT2A (0.58) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL3520525 0.81 GNAI3 (0.60) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL15906221 0.81 EPHX1 (0.50) SMN1; SMN2ALDH1A1HPGDEPHX1LMNA

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