SCHEMBL8419989

SCHEMBL8419989

O=Nc1sc(N2CCOCC2)nc1-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.65
ALDH1A1 P00352 9/20 0.64
ALOX5 P09917 2/20 0.60
HPGD P15428 2/20 0.57
GAA P10253 2/20 0.57
PTGS2 P35354 1/20 0.55
HTT P42858 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 4/20 0.54
MEN1 O00255 4/20 0.53
MAPT P10636 4/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAPK1 P28482 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
CETP P11597 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL8056967 0.80 AR (0.72) ARALDH1A1ALOX5HPGDGAA
SCHEMBL17009411 0.79 AR (1.00) ARALDH1A1ALOX5HPGDGAA
SCHEMBL7062983 0.78 ALDH1A1 (1.00) ARALDH1A1ALOX5HPGDGAA
SCHEMBL8823050 0.78 ALDH1A1 (0.79) ARALDH1A1ALOX5HPGDGAA
SCHEMBL17014756 0.76 AR (1.00) ARALDH1A1ALOX5HPGDGAA
SCHEMBL27484530 0.75 ALDH1A1 (0.67) ARALDH1A1ALOX5HPGDGAA
SCHEMBL17014808 0.74 ALDH1A1 (0.71) ARALDH1A1ALOX5HPGDGAA
SCHEMBL5806903 0.71 AR (0.55) ARALDH1A1ALOX5HPGDGAA
SCHEMBL15978869 0.69 AR (0.56) ARALDH1A1ALOX5HPGDGAA
SCHEMBL1304512 0.68 CETP (0.74) ARALDH1A1ALOX5HPGDGAA

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
EP-0941990-A2 Process for the preparation of azamethines and azamethines obtained thereby SIEMENS AKTIENGESELLSCHAFT (DE) 1999-09-15 EP disclosed