SCHEMBL28514523

SCHEMBL28514523

Clc1nc(Cl)nc(-c2ccccc2Br)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
MAPK1 P28482 4/20 0.43
ALDH1A1 P00352 3/20 0.43
AHR P35869 1/20 0.42
RAB9A P51151 3/20 0.42
NFKB1 P19838 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HSD11B1 P28845 1/20 0.41
DCUN1D1 Q96GG9 2/20 0.40

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
SCHEMBL18015638 0.84 PBRM1 (0.54) PBRM1MAPK1ALDH1A1AHRRAB9A
SCHEMBL3080778 0.80 PBRM1 (0.41) PBRM1MAPK1ALDH1A1AHRRAB9A
SCHEMBL9649146 0.79 ALDH1A1 (0.43) MAPK1ALDH1A1NFKB1SMN1; SMN2MAPT
SCHEMBL22030567 0.77 PBRM1 (0.48) PBRM1MAPK1ALDH1A1AHRRAB9A
SCHEMBL11400639 0.77 HSP90AA1 (0.49) MAPK1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL22030564 0.76 PBRM1 (0.47) PBRM1MAPK1ALDH1A1AHRRAB9A
SCHEMBL31626473 0.75 MAPK1 (0.50) PBRM1MAPK1ALDH1A1AHRRAB9A
SCHEMBL6172768 0.74 CYP1A2 (0.49) MAPK1ALDH1A1RAB9ANFKB1SMN1; SMN2
SCHEMBL21304266 0.74 ALDH1A1 (0.48) MAPK1ALDH1A1RAB9ANFKB1SMN1; SMN2
SCHEMBL16441477 0.74 MAPK1 (0.60) PBRM1MAPK1ALDH1A1AHRRAB9A

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-112300088-A Synthetic method of 2, 4-dihalogen-6-aryl substituted triazine derivative 郑州海阔光电材料有限公司 2021-02-02 CN disclosed