SCHEMBL3458244

SCHEMBL3458244

O=C(Cc1nn[nH]n1)NCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.53
KDM6B O15054 1/20 0.51
KDM4A O75164 1/20 0.51
KDM5A P29375 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B2 P37059 1/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL4153733 0.77 HPGD (0.79) ALDH1A1SMN1; SMN2HPGDGAACA1
SCHEMBL9984438 0.73 PTGER1 (0.56) ALDH1A1L3MBTL1
SCHEMBL31292158 0.71 CA12 (0.59) ALDH1A1L3MBTL1KDM6BKDM4AKDM5A
SCHEMBL7765076 0.71 L3MBTL1 (0.79) ALDH1A1L3MBTL1HPGDCA2TAAR1
SCHEMBL1449520 0.71 HTT (0.65) ALDH1A1L3MBTL1SMN1; SMN2KDM6BKDM4A
SCHEMBL17024865 0.71 NAALAD2 (0.51) ALDH1A1L3MBTL1KDM6BKDM4AKDM5A
SCHEMBL9986079 0.71 L3MBTL1 (0.67) ALDH1A1L3MBTL1
SCHEMBL2186352 0.70 HDAC2 (0.72) L3MBTL1HPGDGAATAAR1MEN1
SCHEMBL11186772 0.70 HDAC3 (0.62) ALDH1A1L3MBTL1SMN1; SMN2HPGDGAA
SCHEMBL696928 0.70 HDAC3 (0.62) ALDH1A1L3MBTL1SMN1; SMN2HPGDGAA

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-2010018438-A2 TETRAZOLE GLYCOSIDES HETERO RESEARCH FOUNDATION (IN) 2010-02-18 WO disclosed