SCHEMBL28489642

SCHEMBL28489642

O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 4/20 0.60
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
NTSR1 P30989 1/20 0.58
HPGD P15428 1/20 0.58
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57
ABCG2 Q9UNQ0 3/20 0.56
ELANE P08246 1/20 0.56
ABCB1 P08183 1/20 0.56
ABCC1 P33527 1/20 0.56
XBP1 P17861 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
THRB P10828 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL6731942 1.00 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6727847 0.91 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL22604036 0.91 MAPK1 (0.62) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL15227091 0.88 MCL1 (0.61) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4779395 0.86 KMT2A (0.67) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6727635 0.86 RAB9A (0.64) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14987897 0.84 MAPK1 (0.68) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8211417 0.83 MEN1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL29769219 0.82 XDH (0.58) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL17367816 0.82 MEN1 (0.79) MEN1KMT2AALDH1A1MAPTSMN1; 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-110117258-B Preparation method of 2,4, 6-triaryl substituted pyrimidine compound 台州学院 2020-11-03 CN disclosed