SCHEMBL28039015

SCHEMBL28039015

O=C1OC(=O)c2cc(C3=NCCO3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LSS P48449 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LTA4H P09960 1/20 0.34
USP9X Q93008 1/20 0.33

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
SCHEMBL8855985 0.81 KCNH2 (0.38) KCNH2HRH3LSSSMN1; SMN2LTA4H
SCHEMBL5015600 0.78 PRF1 (0.55) ALDH1A1
SCHEMBL105809 0.75 NPC1 (0.41) KCNH2HRH3SMN1; SMN2LTA4H
SCHEMBL29359977 0.74 ALOX15 (0.57) ALDH1A1ALOX15TDP1SMN1; SMN2
SCHEMBL169305 0.74 ALOX15 (0.57) ALDH1A1ALOX15TDP1SMN1; SMN2
SCHEMBL132013 0.74 KCNH2 (0.49) KCNH2HRH3LSSSMN1; SMN2LTA4H
SCHEMBL29358248 0.74 ALOX15 (0.57) ALDH1A1ALOX15TDP1SMN1; SMN2
SCHEMBL741462 0.74 ALOX15 (0.57) ALDH1A1ALOX15TDP1SMN1; SMN2
SCHEMBL29423347 0.74 ALOX15 (0.57) ALDH1A1ALOX15TDP1SMN1; SMN2
SCHEMBL15641977 0.72 ALOX15 (0.55) ALDH1A1ALOX15TDP1SMN1; SMN2

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
CN-105392630-A Adaptive Vapor Barrier RHODIA OPERATIONS 2016-03-09 CN disclosed