SCHEMBL22282975

SCHEMBL22282975

CCc1ncc(-c2ccccc2Br)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE10A Q9Y233 1/20 0.34
ALDH1A1 P00352 4/20 0.33
IDO1 P14902 1/20 0.33
MC4R P32245 2/20 0.33
MAOB P27338 3/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL19336271 0.75 MBOAT4 (0.31) NPC1RAB9A
SCHEMBL22282974 0.74 CYP1A2 (0.38) HSD11B1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL22282976 0.72 EED (0.33) HSD11B1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL3055813 0.68 ALDH1A1 (0.39) NFKB1NFKB2RELAALDH1A1MAPT
SCHEMBL12963787 0.67 GPR84 (0.41) MAPK1L3MBTL1NPC1RAB9ATDP1
SCHEMBL8067284 0.65 GABRA1 (0.50) MAPK1NFKB1ALDH1A1IDO1LMNA
SCHEMBL12514788 0.65
SCHEMBL31295703 0.65 ALDH1A1 (0.67) HSD11B1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL358976 0.65 ALDH1A1 (0.67) HSD11B1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL2115976 0.64 LMNA (0.33) NFKB1NFKB2RELAALDH1A1LMNA

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-3490985-B1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2020-08-05 EP claimed